data_5jn6_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5jn6 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.66 0 CA-C-O 121.0 0.428 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -107.59 125.03 50.81 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.922 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.06 128.38 55.85 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.714 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -87.84 108.67 19.27 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -100.1 142.38 15.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.388 -175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -110.63 134.33 53.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.54 113.56 3.55 Favored Glycine 0 N--CA 1.426 -2.01 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.334 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.664 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 69.5 m -155.46 127.3 7.49 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 9.9 p-10 -69.88 -8.41 48.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 20.3 m120 -109.73 -30.54 7.82 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.682 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.664 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.3 mmm-85 -138.32 96.51 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.543 ' CZ2' HD13 ' A' ' 17' ' ' ILE . 89.6 t90 -101.76 131.26 48.15 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.15 149.93 21.9 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 118.979 -1.581 . . . . 0.0 113.799 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.543 HD13 ' CZ2' ' A' ' 15' ' ' TRP . 48.0 mm -115.44 122.84 70.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 122.381 0.272 . . . . 0.0 110.324 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' A' ' 54' ' ' THR . 63.7 ttp85 -112.42 120.2 40.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.356 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.446 ' HB2' HG11 ' A' ' 55' ' ' VAL . 30.2 t-80 -74.81 117.19 16.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 t0 . . . . . 0 N--CA 1.443 -0.777 0 O-C-N 123.993 0.808 . . . . 0.0 109.366 -178.716 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 p90 . . . . . 0 CA--C 1.507 -0.689 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 m -65.55 -40.65 93.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 t -171.77 158.87 5.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.735 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.54 -45.93 88.33 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.86 -36.81 83.17 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.072 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.74 85.94 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.16 -51.72 35.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -64.79 -44.23 90.62 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -58.09 -53.61 56.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.919 0.39 . . . . 0.0 110.706 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.69 92.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.76 72.28 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.628 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.68 -38.0 85.91 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.87 0.366 . . . . 0.0 111.014 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.88 83.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.608 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.12 86.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.41 95.06 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -61.22 -45.88 92.75 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.03 0.443 . . . . 0.0 110.162 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -63.53 -40.81 97.99 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.682 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -58.64 -52.84 63.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.254 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.11 -37.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-O 121.26 0.553 . . . . 0.0 110.006 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.705 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.591 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 20.2 t80 -92.14 -3.21 55.96 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.18 22.03 53.22 Favored Glycine 0 N--CA 1.464 0.514 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.825 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.591 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 41.3 m170 -66.05 135.24 54.37 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.26 132.96 55.58 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -104.02 120.1 53.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -116.92 118.23 31.88 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.51 110.96 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 34.4 m -127.74 92.99 3.59 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.593 0.711 . . . . 0.0 109.388 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 55' ' ' VAL . 30.9 m . . . . . 0 C--N 1.306 -1.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.228 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 27' ' ' TYR . 86.8 t80 -128.43 132.99 48.46 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.12 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.493 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 44.5 p90 -135.61 122.21 20.82 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.725 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.2 t0 -86.64 126.4 34.5 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.542 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.0 pt -102.18 154.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -123.74 129.4 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.831 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.52 114.79 2.33 Favored Glycine 0 N--CA 1.441 -1.028 0 C-N-CA 119.413 -1.375 . . . . 0.0 114.216 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.56 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 47.2 m -124.45 148.83 47.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.74 -9.78 58.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -113.82 -29.36 7.1 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 11' ' ' SER . 34.8 ttt180 -135.65 122.17 20.72 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -123.61 129.22 50.82 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.827 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -142.9 147.2 18.54 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 119.956 -1.116 . . . . 0.0 114.011 -175.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.93 117.47 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.725 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 1.3 ttt-85 -109.67 104.58 13.6 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.887 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -81.68 129.37 34.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.724 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' CG ' HH12 ' A' ' 18' ' ' ARG . 2.8 m-20 . . . . . 0 N--CA 1.446 -0.642 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.542 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 44.3 p90 . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -69.15 -40.85 77.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.513 0.673 . . . . 0.0 109.652 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.1 t -167.72 142.31 3.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.981 -1.008 . . . . 0.0 108.826 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 28.2 ttpp -65.86 -43.58 87.97 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.21 -35.37 80.26 Favored 'General case' 0 C--O 1.194 -1.865 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.514 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.68 83.44 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 123.221 0.326 . . . . 0.0 110.926 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.84 61.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.493 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 91.8 m-85 -65.45 -40.69 93.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 111.127 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.63 -54.9 40.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.105 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.75 85.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.29 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.349 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -67.87 -36.42 80.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.292 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.58 96.89 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.135 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.95 85.05 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.6 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.28 99.12 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.433 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 p -62.78 -45.92 90.42 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.671 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -63.06 -41.09 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 0.0 109.805 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -59.89 -52.28 66.12 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.966 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.422 ' O ' HD11 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -69.78 -40.22 78.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.502 -178.389 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.73 -41.29 99.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.645 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 31.4 t80 -86.92 -5.81 58.98 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 30.92 35.98 Favored Glycine 0 CA--C 1.502 -0.739 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.645 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 33.7 m170 -65.54 143.02 57.91 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.89 118.95 7.9 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.1 126.86 49.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.445 0.64 . . . . 0.0 111.62 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.532 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 69.6 mmt-85 -128.36 134.34 48.84 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.393 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.3 mm -126.26 117.21 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 p -123.99 98.66 5.89 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.392 0.615 . . . . 0.0 111.294 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 C--N 1.314 -0.943 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.217 178.021 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.525 0.202 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -118.18 126.23 51.79 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.649 0.738 . . . . 0.0 111.78 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.469 ' HE1' ' CE2' ' A' ' 34' ' ' PHE . 46.8 p90 -118.71 136.16 54.09 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.577 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -90.53 115.19 27.48 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.372 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.19 143.99 10.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.972 -178.008 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.02 131.84 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.17 114.89 3.79 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.532 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.657 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.9 m -153.29 129.16 10.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.97 -10.24 57.91 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -107.1 -29.13 9.57 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.199 -1.0 . . . . 0.0 110.122 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.657 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.0 mmm-85 -136.89 100.27 4.26 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.48 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.691 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 31.3 t90 -101.81 126.37 48.67 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.261 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.38 141.44 12.75 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.476 -0.868 . . . . 0.0 113.326 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.685 HD13 ' CZ3' ' A' ' 15' ' ' TRP . 21.0 mt -115.06 124.26 71.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 54' ' ' THR . 66.0 ttp85 -120.46 120.39 35.78 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.24 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -75.42 123.48 25.48 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 CA--C 1.506 -0.744 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.984 -173.448 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.8 p90 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -68.85 -41.22 78.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.817 0.342 . . . . 0.0 111.281 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -171.44 151.73 3.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.576 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -65.06 -42.78 93.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.78 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.44 -36.53 83.03 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.662 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.44 81.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 120.624 0.25 . . . . 0.0 110.665 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.25 5.37 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.469 ' CE2' ' HE1' ' A' ' 6' ' ' TYR . 85.5 m-85 -63.99 -46.77 83.11 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.96 -53.96 52.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 -177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.08 85.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.862 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.76 68.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.809 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.42 -36.11 82.0 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.52 75.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.059 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.723 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.691 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -62.62 -37.73 87.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.002 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 m -61.26 -46.19 91.41 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.987 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.36 -44.11 95.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.849 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.425 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.25 -51.06 71.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.938 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -68.84 -38.11 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 0.0 111.254 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.14 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -87.62 -6.05 58.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.97 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.05 20.77 79.16 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.857 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.425 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 60.7 m170 -65.52 137.08 57.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.15 126.43 27.49 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.261 -0.575 . . . . 0.0 109.716 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 17.7 m -109.81 127.42 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.353 0.597 . . . . 0.0 110.1 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -114.69 115.94 27.9 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.94 109.86 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 27.1 m -119.05 96.36 5.2 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 121.644 0.735 . . . . 0.0 109.547 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.306 -1.323 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.029 178.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -107.99 137.69 45.55 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.043 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.567 ' HH ' ' HA ' ' A' ' 34' ' ' PHE . 33.9 p90 -123.28 125.12 44.46 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.65 110.66 21.82 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.446 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 pt -88.53 151.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.864 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -113.8 130.79 67.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 176.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.89 113.95 3.75 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 119.459 -1.353 . . . . 0.0 112.017 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.597 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 73.2 m -151.44 138.87 19.47 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.559 -0.32 . . . . 0.0 110.659 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.471 ' HA ' ' NE2' ' A' ' 49' ' ' HIS . 10.6 m-20 -70.21 -22.98 62.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -112.72 -32.85 6.29 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.13 -1.028 . . . . 0.0 113.003 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 11' ' ' SER . 51.8 mmm-85 -127.48 86.91 2.55 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.17 0.51 . . . . 0.0 110.459 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -98.73 133.17 43.43 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.506 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -150.37 148.65 20.07 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.51 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.18 121.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -113.1 119.72 38.82 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.92 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 55' ' ' VAL . 43.3 t-80 -78.34 122.44 25.76 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.623 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.3 t80 . . . . . 0 N--CA 1.434 -1.24 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -62.9 -42.66 99.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 p -153.18 149.89 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.019 0.438 . . . . 0.0 111.112 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 55.1 tttp -64.8 -42.61 94.88 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.977 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.03 -37.92 87.08 Favored 'General case' 0 C--O 1.203 -1.374 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.432 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.94 76.03 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.152 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.99 -54.44 15.23 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.133 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.567 ' HA ' ' HH ' ' A' ' 6' ' ' TYR . 84.5 m-85 -65.68 -44.04 87.43 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.82 -55.41 35.48 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.885 0.374 . . . . 0.0 111.065 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.83 77.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.06 94.41 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.99 -36.26 81.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.302 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.66 98.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 109.679 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.361 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.53 88.16 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 p -64.6 -37.2 86.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.346 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.211 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.588 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.83 -50.48 73.63 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.182 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.9 mm -63.56 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.151 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.48 -43.11 93.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.623 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.518 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 8.7 t80 -86.8 -2.65 58.73 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.19 28.06 50.42 Favored Glycine 0 CA--C 1.509 -0.327 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.64 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.588 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 48.2 m170 -67.92 135.84 53.06 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.86 138.06 58.43 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.51 113.71 44.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.138 0.494 . . . . 0.0 112.092 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 52' ' ' ARG . 49.7 mmt-85 -111.19 138.77 47.22 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.691 174.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.4 mt -128.34 115.93 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.6 p -126.63 96.64 4.73 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-O 121.377 0.608 . . . . 0.0 109.867 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' A' ' 19' ' ' HIS . 3.5 p . . . . . 0 C--N 1.31 -1.123 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.842 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.231 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.613 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 78.7 t80 -130.23 132.21 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.655 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.508 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 24.5 p90 -120.23 131.06 54.8 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.548 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 40.7 t0 -86.53 107.69 18.22 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.614 -174.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -92.87 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.636 0.731 . . . . 0.0 112.74 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.77 132.68 67.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.59 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -109.47 119.29 5.44 Favored Glycine 0 CA--C 1.495 -1.186 0 C-N-CA 119.397 -1.382 . . . . 0.0 112.494 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.685 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.2 m -154.67 128.53 8.75 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-O 121.098 0.475 . . . . 0.0 111.594 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 -12.3 61.53 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.998 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -107.34 -35.14 6.88 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 118.298 -1.361 . . . . 0.0 111.317 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 11' ' ' SER . 38.0 ttm105 -143.9 108.11 4.77 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.007 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.59 ' CZ3' ' HA2' ' A' ' 10' ' ' GLY . 25.1 t-105 -102.86 129.65 49.62 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.864 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.88 136.95 9.21 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.092 -1.052 . . . . 0.0 113.827 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.436 HD12 ' HE1' ' A' ' 15' ' ' TRP . 48.8 mm -102.22 111.58 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 109.4 176.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.548 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 9.9 ttt-85 -108.72 119.34 39.24 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.3 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -78.05 127.0 31.66 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 122.262 -0.273 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.026 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 4.2 p90 . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -64.59 -40.37 95.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.088 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -143.62 142.71 31.16 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.432 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 41.2 ttmt -64.28 -43.51 94.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 109.844 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.22 -32.07 73.55 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.166 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.01 91.68 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.877 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -50.72 41.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.155 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 62.4 m-85 -62.73 -46.89 86.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.55 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.49 84.81 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.528 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -47.93 83.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.11 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.21 -36.61 82.07 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.895 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.02 97.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 121.649 0.737 . . . . 0.0 110.152 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.23 -36.06 80.87 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.565 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.24 99.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.944 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 p -63.61 -38.23 90.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.128 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.51 -41.24 98.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.293 0.568 . . . . 0.0 110.04 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.529 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.21 -51.74 68.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.578 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.62 -31.05 44.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.218 0.532 . . . . 0.0 110.387 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.16 -45.41 94.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.745 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -88.86 -3.95 58.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.29 25.54 65.8 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 120.109 -1.044 . . . . 0.0 111.815 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.529 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 65.7 m170 -65.62 138.65 58.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.48 121.18 12.62 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.49 129.83 54.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-O 121.027 0.441 . . . . 0.0 110.132 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -121.85 130.5 53.42 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -130.84 113.42 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.3 p -121.78 97.64 5.58 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.831 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.315 -0.898 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -179.744 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.508 ' HB1' ' HZ2' ' A' ' 30' ' ' LYS . . . . . . . . 0 C--O 1.239 0.517 0 CA-C-O 120.996 0.427 . . . . 0.0 110.126 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.428 ' OH ' ' HB3' ' A' ' 7' ' ' ASP . 17.0 t80 -102.78 137.64 40.72 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.871 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.526 ' OH ' ' HA ' ' A' ' 34' ' ' PHE . 35.6 p90 -147.77 125.28 11.7 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.428 ' HB3' ' OH ' ' A' ' 5' ' ' TYR . 1.6 p30 -96.01 147.36 23.78 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.263 0.554 . . . . 0.0 110.768 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 pt -103.24 145.81 11.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.568 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 131.74 62.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.46 114.46 3.79 Favored Glycine 0 N--CA 1.439 -1.151 0 C-N-CA 119.769 -1.205 . . . . 0.0 112.299 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.656 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 68.7 m -150.43 126.93 10.8 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.42 -7.21 29.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -112.15 -33.16 6.32 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 118.934 -1.106 . . . . 0.0 111.326 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.656 ' O ' ' HB2' ' A' ' 11' ' ' SER . 56.8 mmm-85 -140.1 102.12 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -99.79 128.72 45.87 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.06 143.14 14.38 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.753 -1.213 . . . . 0.0 114.721 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.8 mm -108.23 113.74 44.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -112.91 111.65 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.664 -0.415 . . . . 0.0 111.723 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.521 ' HA ' ' CB ' ' A' ' 6' ' ' TYR . 62.9 t-80 -84.54 99.11 10.52 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.478 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 N--CA 1.438 -1.034 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.754 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.442 -0.86 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -70.15 -25.72 63.59 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.319 175.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 p -151.43 142.98 23.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.883 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HZ2' ' HB1' ' A' ' 4' ' ' ALA . 29.7 mttm -71.17 -33.75 70.3 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.34 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.99 -33.67 75.89 Favored 'General case' 0 C--O 1.195 -1.774 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.083 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.79 97.57 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.967 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.4 -53.32 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.366 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.526 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 70.7 m-85 -63.71 -45.23 90.94 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.49 -49.61 76.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.83 90.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.0 88.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.057 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 -37.33 86.76 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.142 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.77 87.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.79 99.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.168 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.6 91.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.781 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 49.2 m -61.48 -47.02 87.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.84 -41.97 98.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.63 -51.05 71.03 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.405 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.65 -31.54 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.295 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' SER . 29.1 mtpp -62.41 -42.71 99.64 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.607 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -88.7 -2.9 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 111.115 -177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.41 17.66 66.02 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.51 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -67.43 133.8 50.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -61.44 130.45 46.1 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.395 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.85 114.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -101.08 124.65 47.13 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.121 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -115.59 110.35 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.916 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.9 p -120.25 97.11 5.43 Favored 'General case' 0 N--CA 1.414 -2.241 0 CA-C-O 121.771 0.796 . . . . 0.0 109.727 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 19' ' ' HIS . 8.0 m . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.537 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.17 137.04 43.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.917 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -114.2 117.75 32.05 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.518 174.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.629 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 43.5 t0 -91.07 108.15 19.68 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.09 151.5 5.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 121.398 0.618 . . . . 0.0 112.314 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.98 137.77 49.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.353 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.02 114.34 3.67 Favored Glycine 0 N--CA 1.441 -1.023 0 C-N-CA 119.618 -1.277 . . . . 0.0 113.556 -174.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.494 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.6 m -151.53 116.28 5.16 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.92 28.83 0.06 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 11' ' ' SER . 25.6 p-10 -135.35 -35.08 0.83 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.286 0.565 . . . . 0.0 109.78 174.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' SER . 62.3 ttt180 -142.0 114.46 8.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.56 ' NE1' ' HB3' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -112.42 130.05 56.11 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.864 -174.683 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.12 135.49 10.71 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 119.901 -1.142 . . . . 0.0 114.538 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mm -104.72 110.62 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.629 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 13.2 ttt-85 -111.79 119.22 37.88 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -78.42 136.96 37.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 18.1 t70 . . . . . 0 C--N 1.318 -0.794 0 CA-C-O 121.156 0.503 . . . . 0.0 110.482 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 t80 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -62.54 -42.6 99.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 p -167.19 157.13 10.96 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.92 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -65.38 -40.82 93.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.544 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.04 -36.23 83.71 Favored 'General case' 0 C--O 1.199 -1.582 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.639 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.81 71.34 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.63 0.252 . . . . 0.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.11 -55.39 8.3 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.312 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -64.91 -43.0 94.26 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.85 -54.48 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.912 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.78 83.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.97 83.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.51 -37.89 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.412 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 121.279 0.562 . . . . 0.0 110.229 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HB3' ' NE1' ' A' ' 15' ' ' TRP . . . -64.38 -43.93 92.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.348 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.22 94.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.51 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 19.9 p -64.3 -41.55 96.8 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.652 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.942 0.401 . . . . 0.0 110.182 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.04 71.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.269 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.2 tt -66.57 -34.9 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.543 -176.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 42' ' ' SER . 62.1 mtpt -61.32 -39.54 90.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.555 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -89.72 -0.39 57.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.749 0.309 . . . . 0.0 111.657 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.65 76.17 Favored Glycine 0 CA--C 1.498 -1.03 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.377 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.469 ' O ' HG21 ' A' ' 51' ' ' VAL . 45.7 m170 -65.78 145.12 56.37 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -60.93 107.84 0.77 Allowed 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.252 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 49' ' ' HIS . 61.6 t -100.36 108.42 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 121.155 0.503 . . . . 0.0 110.377 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -110.64 119.43 39.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.796 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -106.2 110.88 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -117.59 98.8 6.57 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 CA--C 1.549 0.928 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.589 -178.112 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 85.7 t80 -113.3 134.52 54.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.261 0.553 . . . . 0.0 111.632 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.45 131.12 57.03 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.5 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.84 116.64 29.07 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mp -106.38 133.03 52.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-O 120.927 0.394 . . . . 0.0 110.278 -176.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -103.83 129.45 55.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.56 114.56 3.52 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.891 -1.147 . . . . 0.0 112.905 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -151.6 140.3 20.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.99 -2.51 15.57 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -108.13 -33.36 7.18 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.377 175.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -143.0 125.09 15.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.955 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.454 ' CZ2' HD13 ' A' ' 17' ' ' ILE . 89.3 t90 -118.04 134.28 55.12 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.69 149.25 21.12 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 119.009 -1.567 . . . . 0.0 116.374 -173.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.454 HD13 ' CZ2' ' A' ' 15' ' ' TRP . 46.7 mm -115.92 117.49 55.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 123.596 0.758 . . . . 0.0 109.212 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -116.41 120.57 39.24 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.571 0.224 . . . . 0.0 110.919 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.64 118.75 24.05 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 120.244 -0.583 . . . . 0.0 109.91 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.005 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' HB3' ' CD1' ' A' ' 5' ' ' TYR . 24.4 p90 . . . . . 0 C--O 1.237 0.411 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -70.09 -41.65 73.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.926 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -148.85 142.38 25.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.973 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.43 -39.0 91.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.25 -36.48 84.25 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.332 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.82 87.84 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.115 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.74 -58.8 3.08 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.668 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -66.36 -47.5 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.07 -48.03 82.01 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.339 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.89 91.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.914 0.387 . . . . 0.0 110.691 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.94 71.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.166 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -66.3 -35.85 81.44 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 111.003 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.4 77.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.288 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.18 -36.38 83.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.557 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.79 90.65 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.757 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -60.39 -46.33 90.38 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.644 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.82 -45.02 91.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.473 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.45 68.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.191 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.8 tt -68.75 -36.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.284 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -62.04 -39.89 93.87 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.957 0.408 . . . . 0.0 110.703 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -85.95 -9.76 56.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.131 -176.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.45 22.81 57.93 Favored Glycine 0 CA--C 1.501 -0.843 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.762 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -67.28 142.37 56.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.09 137.4 58.11 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 p -112.85 131.28 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.85 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.96 114.17 21.14 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.71 111.37 35.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -117.75 95.42 4.93 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-O 121.482 0.658 . . . . 0.0 109.932 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.942 178.588 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 121.048 0.451 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -98.23 140.56 32.34 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.922 0.868 . . . . 0.0 111.587 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -124.69 117.94 25.35 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -95.5 108.38 20.61 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-O 121.227 0.537 . . . . 0.0 109.553 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 pp -90.05 145.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.952 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.26 129.05 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.37 114.17 3.73 Favored Glycine 0 CA--C 1.492 -1.353 0 C-N-CA 119.603 -1.284 . . . . 0.0 112.658 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.648 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.7 m -154.26 126.4 7.83 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.332 0.653 . . . . 0.0 109.618 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.04 -3.33 9.85 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.81 -30.13 7.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.518 0.675 . . . . 0.0 110.242 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.648 ' O ' ' HB2' ' A' ' 11' ' ' SER . 8.1 tpt180 -140.17 101.59 4.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.654 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.465 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -107.12 130.03 54.75 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.868 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.13 141.02 11.89 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.684 -1.246 . . . . 0.0 114.268 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.87 109.74 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -112.29 114.65 27.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 111.451 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -81.13 93.29 6.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.168 0.509 . . . . 0.0 111.72 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.438 -1.073 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.695 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.1 p90 . . . . . 0 C--O 1.238 0.455 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.5 m -70.59 -40.52 73.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.17 0.51 . . . . 0.0 110.669 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t 176.55 143.33 0.08 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.129 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -67.05 -45.38 77.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.359 . . . . 0.0 110.445 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.12 -37.91 86.88 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.85 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.26 77.75 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 120.855 0.359 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.01 -57.42 5.48 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.884 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -65.96 -42.31 90.09 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.57 -52.9 63.59 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.4 93.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.587 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -50.0 75.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.018 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.06 -39.88 90.46 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.926 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.97 65.84 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.127 0.489 . . . . 0.0 111.216 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.21 88.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.775 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.86 88.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.914 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.7 m -61.21 -41.95 97.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -60.76 -47.13 87.7 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.922 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.462 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.68 -51.08 70.91 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.966 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.425 ' O ' HD11 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.02 -40.48 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -61.97 -39.77 93.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.927 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.85 -4.41 59.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.731 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.86 11.31 70.74 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.717 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.462 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 50.9 m170 -69.5 134.16 48.56 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.55 133.27 52.02 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.319 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.3 p -113.6 132.36 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-O 121.128 0.489 . . . . 0.0 110.31 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.35 138.61 40.52 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 tt -126.86 110.64 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.438 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -128.49 95.18 4.06 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.159 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.858 -179.366 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 CA-C-O 121.228 0.537 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -124.32 134.37 53.2 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.88 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.406 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 31.2 p90 -127.29 134.82 49.98 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.845 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 53.6 t0 -86.57 108.0 18.39 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.566 HD11 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -90.07 140.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.18 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.5 t -112.19 129.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.86 114.83 3.68 Favored Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.686 -1.245 . . . . 0.0 112.41 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.544 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 43.1 m -150.02 135.98 18.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -72.74 -7.07 48.77 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -109.03 -29.66 8.45 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.216 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 11' ' ' SER . 40.2 ttt180 -139.94 115.03 9.71 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 82.3 t90 -110.66 128.52 55.73 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -137.97 140.7 11.42 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 119.505 -1.331 . . . . 0.0 115.213 -174.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.459 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 47.9 mm -103.72 110.37 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -104.03 112.48 25.48 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.459 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -78.5 123.86 27.52 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--N 1.311 -1.103 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.386 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.7 p90 . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -67.57 -40.55 84.89 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -166.1 150.68 8.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.53 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -64.59 -48.33 75.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.47 -35.62 79.54 Favored 'General case' 0 C--O 1.192 -1.924 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 120.745 0.307 . . . . 0.0 110.646 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.27 -55.16 11.32 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 87.8 m-85 -63.94 -45.01 91.13 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.77 -53.63 55.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.466 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.16 86.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.323 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -51.42 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.507 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.44 -35.29 79.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.938 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.39 82.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.033 0.445 . . . . 0.0 110.16 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.27 83.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.352 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 45' ' ' ILE . . . -59.98 -41.5 92.14 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 m -61.11 -46.85 88.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.477 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -63.31 -45.0 93.4 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.162 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.48 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -61.6 -52.29 64.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.493 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 41' ' ' ALA . 11.0 tp -70.37 -39.43 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.711 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.33 -35.72 79.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -86.08 -13.51 47.09 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.843 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.42 18.98 56.17 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 119.95 -1.119 . . . . 0.0 111.808 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.48 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 61.6 m170 -66.27 140.14 58.12 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.79 125.02 21.75 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.427 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 p -106.29 123.83 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 22.0 mmt180 -124.39 134.87 53.0 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.108 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -134.04 115.55 21.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.9 p -122.11 99.92 6.69 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.47 0.652 . . . . 0.0 111.399 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.683 176.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 7' ' ' ASP . 48.8 t80 -115.14 138.71 50.59 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.212 0.53 . . . . 0.0 111.82 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -118.43 115.38 24.53 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.22 175.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 18' ' ' ARG . 22.5 t70 -92.54 120.05 32.61 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.732 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 pt -107.99 151.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.447 0.641 . . . . 0.0 112.426 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -106.96 135.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 116.79 4.38 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.292 -1.432 . . . . 0.0 114.514 -172.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.825 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 31.3 t -156.48 131.61 9.19 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.72 -9.96 59.06 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -104.0 -30.38 10.31 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.357 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.825 ' O ' ' HB3' ' A' ' 11' ' ' SER . 56.1 mtp180 -140.41 111.47 7.07 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.168 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.453 ' N ' ' HD2' ' A' ' 49' ' ' HIS . 2.1 t-105 -127.24 126.31 42.5 Favored 'General case' 0 C--N 1.267 -2.983 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.8 142.16 13.49 Favored Glycine 0 N--CA 1.424 -2.158 0 CA-C-N 115.221 -0.899 . . . . 0.0 113.126 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -102.15 109.54 26.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.535 ' NH1' ' HA ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.41 123.01 43.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.761 0.791 . . . . 0.0 112.081 -176.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -72.65 136.31 45.64 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.823 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.535 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 19.4 t0 . . . . . 0 C--N 1.313 -0.981 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.5 p90 . . . . . 0 N--CA 1.43 -1.429 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -63.93 -40.15 95.78 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 121.511 0.672 . . . . 0.0 109.956 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 m -158.07 150.62 22.4 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.073 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.74 -47.07 85.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.658 0.266 . . . . 0.0 110.931 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.6 -31.86 72.82 Favored 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.24 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.45 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 120.886 0.374 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.73 -52.17 27.8 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.269 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -66.53 -44.28 82.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.9 -50.45 73.99 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.8 0.333 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.05 87.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.129 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -50.16 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.783 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.7 p -66.52 -39.74 88.78 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.693 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.81 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.334 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.38 90.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.55 94.71 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.466 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.5 m -62.81 -45.62 91.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.409 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.23 -43.5 97.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.333 0.587 . . . . 0.0 110.655 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HB1' ' CG ' ' A' ' 49' ' ' HIS . . . -62.62 -46.72 86.98 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.71 -31.33 51.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.62 -31.9 72.83 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.317 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -84.6 -7.75 59.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.321 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.77 21.33 56.19 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.419 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.453 ' HD2' ' N ' ' A' ' 15' ' ' TRP . 1.1 p-80 -66.5 147.33 53.44 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.66 133.78 50.93 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.361 -0.936 . . . . 0.0 108.696 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 p -108.05 139.64 29.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.543 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -136.94 121.77 18.72 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.745 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -110.3 109.89 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -123.23 97.28 5.35 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-O 121.518 0.675 . . . . 0.0 110.421 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.31 -1.11 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.578 -179.05 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.484 0 CA-C-O 121.098 0.475 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.551 ' CD1' ' HB2' ' A' ' 27' ' ' TYR . 27.8 t80 -110.91 120.39 42.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -107.59 115.29 29.89 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -92.1 107.83 19.49 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.528 HD11 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.37 136.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 -177.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.89 128.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 113.75 3.33 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.863 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.589 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.1 m -152.94 131.75 12.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.08 10.16 0.33 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.597 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 6.4 p30 -137.68 -30.12 0.84 Allowed 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.642 173.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.597 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 47.4 mmm-85 -122.59 100.75 7.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.535 ' CZ2' HD13 ' A' ' 17' ' ' ILE . 87.7 t90 -106.83 128.21 54.07 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -144.31 150.42 22.49 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.522 -174.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.535 HD13 ' CZ2' ' A' ' 15' ' ' TRP . 43.5 mm -116.13 123.2 71.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -109.54 116.1 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.955 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -81.42 106.37 13.33 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 C--N 1.302 -1.457 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.139 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.551 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 6.4 t80 . . . . . 0 N--CA 1.441 -0.882 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -62.59 -41.22 98.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -154.11 148.38 25.95 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.231 -0.588 . . . . 0.0 112.172 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.86 -39.58 83.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.984 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.69 -35.65 81.38 Favored 'General case' 0 C--O 1.196 -1.734 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.49 78.82 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.168 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.22 -51.64 43.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.336 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -68.76 -41.75 78.42 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.23 -52.61 64.83 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.832 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.4 -52.54 65.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.583 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -66.78 -36.27 82.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.424 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.51 81.45 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.34 0.59 . . . . 0.0 109.747 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.16 83.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.615 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.88 97.6 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.821 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -60.98 -45.18 95.82 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.771 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.62 -47.32 84.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.73 67.03 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.867 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.78 -44.33 96.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.325 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.93 -34.82 76.78 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.027 0.442 . . . . 0.0 111.62 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 3.7 m-85 -86.84 -4.1 59.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.2 18.83 77.88 Favored Glycine 0 CA--C 1.502 -0.72 0 C-N-CA 119.948 -1.12 . . . . 0.0 112.002 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 3.5 m-70 -64.75 139.83 58.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.45 130.89 48.82 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.558 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.2 t -100.15 126.01 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.512 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -133.15 112.95 12.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -108.65 115.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 t -112.3 97.24 6.5 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-O 122.382 1.087 . . . . 0.0 111.913 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.304 -1.373 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.077 173.072 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -106.81 140.51 39.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 112.216 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -112.9 114.96 27.69 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -91.85 110.03 21.37 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.749 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 pt -100.52 145.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-O 121.496 0.665 . . . . 0.0 112.045 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.5 m -110.23 136.23 46.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.08 115.53 4.16 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 119.468 -1.349 . . . . 0.0 113.965 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.483 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.5 m -147.67 117.22 7.03 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -71.44 28.22 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.442 ' H ' ' C ' ' A' ' 11' ' ' SER . 47.4 t-20 -137.33 -34.98 0.69 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.0 ttt180 -142.6 112.91 7.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 128.88 56.02 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.323 -174.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.09 146.57 17.55 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.462 -0.875 . . . . 0.0 114.244 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.46 119.33 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -106.7 135.73 47.73 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 120.569 0.223 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -80.69 109.63 15.41 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.622 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.314 -0.955 0 CA-C-O 121.031 0.443 . . . . 0.0 110.085 179.427 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.54 0.21 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -66.55 -40.5 89.08 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -140.68 142.88 34.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.902 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HB3' ' HZ1' ' A' ' 30' ' ' LYS . 8.0 ttpm? -67.34 -37.66 83.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.778 178.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.24 -35.76 81.39 Favored 'General case' 0 C--O 1.191 -1.982 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.49 71.85 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.108 0.255 . . . . 0.0 110.5 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.96 -50.88 53.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.075 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -66.77 -42.1 86.64 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.953 0.406 . . . . 0.0 110.591 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -55.35 -54.58 41.78 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.868 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.6 75.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.505 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.89 84.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.42 -37.89 86.2 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.12 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.95 79.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.606 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.365 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.27 90.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.383 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -61.46 -44.95 96.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.798 0.332 . . . . 0.0 110.186 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -62.77 -42.53 99.73 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -52.08 66.45 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.609 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.06 -42.72 96.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.095 0.474 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.97 -43.25 91.32 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.073 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -88.81 -2.84 58.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.336 -176.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 7.39 66.17 Favored Glycine 0 CA--C 1.505 -0.578 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.501 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -67.36 136.54 54.94 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.4 136.95 58.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.655 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.21 134.21 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.54 117.7 22.57 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.2 mt -102.03 115.1 43.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.2 m -116.48 95.31 4.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-O 121.812 0.815 . . . . 0.0 110.721 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.747 178.098 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -107.51 137.96 44.59 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.201 0.524 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -134.19 127.56 32.22 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.736 175.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.636 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.7 t70 -87.03 108.74 18.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.41 0.624 . . . . 0.0 110.359 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.7 pt -86.86 154.63 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.0 129.24 65.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.21 113.91 3.27 Favored Glycine 0 N--CA 1.431 -1.65 0 C-N-CA 119.589 -1.291 . . . . 0.0 112.743 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.58 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 55.3 m -153.87 144.84 22.73 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.14 -40.47 97.68 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -97.04 -28.64 14.06 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.491 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 11' ' ' SER . 39.4 mmm-85 -122.41 94.47 4.3 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 41' ' ' ALA . 77.1 t90 -107.26 128.32 54.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.38 150.42 22.35 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.572 -1.299 . . . . 0.0 113.683 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.454 HD13 ' CZ3' ' A' ' 15' ' ' TRP . 3.9 mp -103.61 121.46 55.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.636 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 10.7 ttt-85 -115.65 111.13 20.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.106 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -77.37 127.06 31.91 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' CG ' HH12 ' A' ' 18' ' ' ARG . 4.8 t0 . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 33' ' ' ALA . 10.8 t80 . . . . . 0 N--CA 1.422 -1.848 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -172.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -162.79 145.96 11.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.11 -0.369 . . . . 0.0 111.328 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.57 -33.21 73.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.019 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.58 -37.83 88.83 Favored 'General case' 0 C--O 1.202 -1.434 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.75 84.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 120.625 0.25 . . . . 0.0 111.094 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . . . -67.63 -55.29 13.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.311 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.22 -43.4 86.77 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.76 -53.07 62.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 123.176 0.297 . . . . 0.0 110.98 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.8 83.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.626 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.74 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.6 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.6 p -66.37 -37.01 84.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.743 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.79 -49.47 76.23 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.731 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.04 82.65 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.585 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.565 ' HB3' ' CH2' ' A' ' 15' ' ' TRP . . . -64.16 -41.57 97.09 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.567 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 65.4 p -63.72 -38.81 92.52 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.808 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -61.91 -47.77 83.43 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.3 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.533 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.98 -51.52 68.92 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.119 -176.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.01 -42.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 120.955 0.407 . . . . 0.0 110.912 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.77 -37.46 84.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.545 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -88.16 -9.05 54.37 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.15 59.14 Favored Glycine 0 CA--C 1.501 -0.836 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.587 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.533 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 57.6 m170 -67.68 142.3 56.4 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.04 130.48 46.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.13 125.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.951 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -125.85 141.82 51.8 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.56 110.4 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -124.34 98.43 5.75 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.624 0.726 . . . . 0.0 110.372 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 CA--C 1.544 0.724 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.737 -178.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -101.55 131.3 47.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.247 0.546 . . . . 0.0 111.585 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.64 119.58 39.94 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 15.4 t70 -92.28 108.48 19.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.227 0.537 . . . . 0.0 109.594 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.547 HD11 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -96.15 141.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.861 -177.555 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.1 129.42 75.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.26 112.66 3.22 Favored Glycine 0 N--CA 1.432 -1.626 0 C-N-CA 119.62 -1.276 . . . . 0.0 111.642 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.609 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.8 m -132.65 143.64 49.8 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.598 ' HA ' ' NE2' ' A' ' 49' ' ' HIS . 17.9 m-20 -69.81 -15.77 63.17 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.541 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 19.8 m120 -117.08 -33.09 4.82 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.852 -1.139 . . . . 0.0 111.788 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 11' ' ' SER . 44.9 mmm-85 -137.66 95.75 3.11 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.87 44.95 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.66 145.89 15.96 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.892 -172.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.5 mt -120.75 102.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.4 ptt85 -112.57 138.96 48.59 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.847 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -78.15 115.37 17.83 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 t0 . . . . . 0 N--CA 1.44 -0.944 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.29 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 p90 . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -69.94 -41.78 74.11 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.004 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m 178.57 -177.04 0.24 Allowed 'General case' 0 C--O 1.243 0.743 0 C-N-CA 125.014 1.326 . . . . 0.0 108.733 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.62 -16.25 62.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.096 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.12 -50.57 69.95 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.49 91.33 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -58.91 3.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.0 -52.31 66.31 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.538 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.98 92.86 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.27 70.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -67.46 -36.14 80.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.563 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.36 -48.73 79.94 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.321 0.581 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.55 84.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.04 93.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.124 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -62.05 -42.2 98.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.41 -45.13 92.41 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.259 0.552 . . . . 0.0 110.298 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.46 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . . . -61.81 -50.67 71.4 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.751 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.65 -43.25 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.7 -38.98 89.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.763 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 10.8 t80 -83.84 -4.32 58.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.096 0.474 . . . . 0.0 111.326 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.22 23.43 56.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.598 ' NE2' ' HA ' ' A' ' 12' ' ' ASP . 1.3 m-70 -65.74 129.57 40.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.25 144.38 55.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -112.11 139.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-O 121.475 0.655 . . . . 0.0 111.09 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.39 113.94 18.85 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.8 tp -105.07 110.65 31.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.357 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -118.25 94.6 4.55 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-O 121.562 0.696 . . . . 0.0 111.257 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.9 t . . . . . 0 C--N 1.305 -1.336 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.532 173.733 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.405 0.622 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -116.17 127.59 54.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.224 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -100.23 115.86 30.88 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 33.7 t70 -93.34 107.07 18.96 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.499 HD11 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -82.02 155.09 4.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.693 -175.485 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.07 132.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.15 111.52 3.37 Favored Glycine 0 CA--C 1.491 -1.445 0 C-N-CA 118.474 -1.822 . . . . 0.0 113.231 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 60.0 m -156.92 124.98 5.55 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 113.886 -1.157 . . . . 0.0 108.187 178.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.77 -40.38 79.73 Favored 'General case' 0 C--O 1.185 -2.341 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.51 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 27.9 p-10 -91.44 -16.98 26.49 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.499 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.4 ttt180 -140.0 97.9 3.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.502 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 30.3 t-105 -103.03 131.2 50.18 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.582 -0.847 . . . . 0.0 112.51 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.13 132.88 9.59 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.778 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.8 mt -108.72 113.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 68.9 ttp85 -114.24 130.42 56.63 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.883 0.373 . . . . 0.0 111.291 -176.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -80.81 119.53 23.51 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.42 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 p90 . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -64.33 -41.06 96.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.399 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.9 t 174.39 157.74 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.32 -49.71 75.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 110.642 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.13 -35.65 80.2 Favored 'General case' 0 C--O 1.195 -1.798 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.01 89.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.13 -51.19 48.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.282 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -65.38 -42.26 92.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.718 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -57.09 -54.08 50.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.43 84.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.442 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.84 84.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.388 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.74 -37.05 83.87 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.691 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.7 75.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.123 0.487 . . . . 0.0 110.488 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.87 89.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.932 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.25 96.18 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 t -63.1 -41.56 99.4 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.489 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 8.2 t30 -60.36 -46.51 89.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.424 ' CA ' ' HB2' ' A' ' 49' ' ' HIS . . . -61.62 -51.33 68.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.01 -41.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.99 -39.84 75.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.489 ' HD1' ' O ' ' A' ' 43' ' ' ASN . 50.2 m-85 -87.54 -8.99 55.66 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.84 68.17 Favored Glycine 0 C--N 1.313 -0.705 0 C-N-CA 120.15 -1.024 . . . . 0.0 111.587 -176.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CD2' ' HA ' ' A' ' 13' ' ' ASN . 39.3 m170 -64.95 126.22 27.33 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.437 ' CG ' ' HG3' ' A' ' 14' ' ' ARG . 11.5 pt-20 -61.47 130.44 46.05 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.256 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.4 p -124.29 130.52 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 121.505 0.669 . . . . 0.0 111.074 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 52' ' ' ARG . 6.3 mmt180 -116.67 135.38 53.83 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.278 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.53 112.31 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 p -119.66 97.45 5.64 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-O 121.945 0.879 . . . . 0.0 111.312 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.308 -1.224 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.344 177.409 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.957 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -101.69 131.74 47.78 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.106 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -104.22 116.41 32.13 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.065 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.7 109.32 20.31 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.237 0.541 . . . . 0.0 110.067 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -96.71 141.94 14.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.279 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.37 128.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 114.65 3.55 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 119.876 -1.154 . . . . 0.0 113.809 -175.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 50.1 m -150.59 138.24 19.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.96 -7.8 43.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.422 HD21 ' C ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -109.25 -31.82 7.43 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.217 176.732 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 11' ' ' SER . 47.0 mmm-85 -132.38 116.72 17.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.058 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 41' ' ' ALA . 36.6 t90 -124.68 127.89 47.99 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.42 150.23 22.45 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 119.562 -1.304 . . . . 0.0 113.767 -175.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.486 HD11 ' CH2' ' A' ' 15' ' ' TRP . 41.4 mm -105.71 115.24 47.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 122.996 0.518 . . . . 0.0 109.839 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -106.64 116.01 31.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.029 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -74.84 108.88 7.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.642 -178.071 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -66.82 -41.17 87.92 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -137.78 140.99 40.9 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.597 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 54.5 tttp -69.32 -38.84 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.092 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.41 -34.31 77.88 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.6 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.25 90.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.73 0.3 . . . . 0.0 111.035 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -52.57 31.19 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.037 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -63.97 -44.16 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.63 -49.02 79.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.023 0.439 . . . . 0.0 110.75 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.74 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.716 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.4 70.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.129 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.93 -36.22 82.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.07 0.462 . . . . 0.0 110.253 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.46 77.23 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.335 0.588 . . . . 0.0 110.44 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.88 85.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.474 176.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.6 ' HB3' ' CH2' ' A' ' 15' ' ' TRP . . . -61.41 -38.1 85.9 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.216 177.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.2 m -60.6 -45.24 94.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -43.89 97.56 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.195 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.75 71.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.995 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.7 mm -62.49 -43.61 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.097 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.59 -32.81 71.9 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.515 0.674 . . . . 0.0 110.47 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.433 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-85 -86.14 -9.24 57.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.13 17.7 77.79 Favored Glycine 0 CA--C 1.5 -0.868 0 C-N-CA 120.222 -0.989 . . . . 0.0 111.259 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 5.6 m-70 -66.05 140.17 58.24 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.58 122.39 14.56 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 123.473 0.483 . . . . 0.0 110.281 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 75.0 t -115.69 129.47 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -126.86 126.74 43.83 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -107.32 115.79 49.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.4 m -108.89 98.07 7.61 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.086 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.313 -0.994 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.456 175.505 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 121.299 0.571 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -112.43 139.52 47.92 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.455 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.548 ' HH ' ' HA ' ' A' ' 34' ' ' PHE . 25.7 p90 -137.45 123.78 20.65 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.431 0.634 . . . . 0.0 110.122 176.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.518 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 8.6 t0 -88.8 112.91 23.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.564 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.523 HD11 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.36 155.17 3.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-O 121.542 0.687 . . . . 0.0 112.578 -175.09 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.0 129.94 59.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.396 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.78 113.95 3.47 Favored Glycine 0 N--CA 1.433 -1.544 0 C-N-CA 119.788 -1.196 . . . . 0.0 112.985 -176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.62 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.2 m -151.26 136.77 17.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.582 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 4.0 m-20 -70.33 -11.95 61.25 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -176.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -103.91 -32.06 9.46 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.822 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' A' ' 11' ' ' SER . 35.2 ttt180 -141.9 122.1 13.87 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 34.6 t90 -115.04 127.36 55.59 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.35 137.3 12.49 Favored Glycine 0 CA--C 1.503 -0.68 0 C-N-CA 120.606 -0.807 . . . . 0.0 114.114 -172.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mt -109.06 108.18 24.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -115.26 112.89 23.13 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 111.297 -177.206 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -75.65 132.96 40.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.509 ' CG ' HH12 ' A' ' 18' ' ' ARG . 17.1 t0 . . . . . 0 C--N 1.315 -0.931 0 CA-C-O 121.08 0.467 . . . . 0.0 110.49 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 p90 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -65.69 -41.92 91.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.683 0.278 . . . . 0.0 111.526 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -173.74 154.47 2.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.175 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 62.6 tttp -63.46 -49.03 75.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.09 -35.59 80.13 Favored 'General case' 0 C--O 1.192 -1.962 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.355 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.72 97.84 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -49.72 57.23 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' HA ' ' HH ' ' A' ' 6' ' ' TYR . 72.5 m-85 -64.59 -46.58 82.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.345 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.54 -54.91 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.673 0.273 . . . . 0.0 111.339 -177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.28 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.43 81.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -66.07 -35.55 80.83 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.724 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.09 77.77 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.324 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.2 86.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.622 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.86 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.006 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -61.25 -45.64 93.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -62.95 -40.58 98.11 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.38 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.569 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -58.75 -52.13 67.0 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.917 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -69.63 -37.55 74.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.027 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -61.19 -45.09 96.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.566 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.679 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 46.6 t80 -86.61 -2.06 58.18 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.831 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.06 30.08 48.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.767 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.679 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 22.3 m170 -66.08 133.85 51.6 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 39.1 tt0 -63.55 117.59 6.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.424 -0.91 . . . . 0.0 108.64 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 57.6 t -97.68 120.76 47.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 pt -105.01 115.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 CA-C-O 121.44 0.638 . . . . 0.0 110.726 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.0 m -123.01 94.65 4.33 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-O 121.669 0.747 . . . . 0.0 109.118 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.31 -1.116 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.434 179.766 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.011 0.434 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -106.37 131.0 54.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.432 ' OH ' ' HA ' ' A' ' 34' ' ' PHE . 34.0 p90 -115.74 129.82 56.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.9 108.28 19.61 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.315 0.579 . . . . 0.0 110.49 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -84.76 153.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.491 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -115.27 129.54 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.08 114.7 3.62 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 119.607 -1.283 . . . . 0.0 114.206 -174.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.578 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.1 m -155.28 143.61 20.28 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.76 -23.13 64.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -103.13 -29.5 11.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.992 0.425 . . . . 0.0 111.433 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 11' ' ' SER . 49.1 mmm-85 -135.63 100.01 4.36 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.503 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 5.4 t90 -107.1 126.05 51.86 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.72 137.45 12.46 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.368 -173.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.7 mt -109.03 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -108.45 127.41 53.89 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.801 -177.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.419 ' HB2' HG13 ' A' ' 55' ' ' VAL . 48.4 t-80 -81.97 120.28 25.03 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.663 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 N--CA 1.434 -1.26 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 178.777 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -66.37 -39.41 89.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.677 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -153.72 149.0 27.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.783 0.325 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -63.88 -30.5 71.58 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.5 -38.97 89.27 Favored 'General case' 0 C--O 1.197 -1.697 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.135 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.88 85.7 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.625 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.53 -57.86 3.83 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.314 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.432 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 68.2 m-85 -62.06 -45.73 92.26 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.521 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.11 -53.73 55.07 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.987 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.019 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.74 80.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.802 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.3 p -66.11 -35.29 80.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.06 83.55 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.156 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.417 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.2 93.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.8 m -61.9 -46.01 91.22 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.916 0.389 . . . . 0.0 110.289 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.43 -43.37 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.07 -49.98 73.79 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.87 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 tt -66.65 -31.28 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.232 0.539 . . . . 0.0 110.263 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.94 -36.86 82.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.314 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -86.15 -6.9 58.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.217 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.87 39.5 11.75 Favored Glycine 0 CA--C 1.503 -0.695 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.262 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.503 ' CD2' ' HB3' ' A' ' 15' ' ' TRP . 12.5 p-80 -67.94 141.18 56.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.614 0.245 . . . . 0.0 110.567 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.57 127.75 33.57 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.1 p -94.44 133.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.397 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.01 118.32 24.23 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -106.6 114.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -117.57 94.88 4.71 Favored 'General case' 0 N--CA 1.425 -1.702 0 CA-C-O 121.62 0.724 . . . . 0.0 110.273 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG13 ' HB2' ' A' ' 19' ' ' HIS . 10.6 m . . . . . 0 C--N 1.312 -1.065 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.868 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -101.59 120.98 41.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.532 0.682 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -108.01 116.46 32.0 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -92.1 108.04 19.65 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -99.57 142.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.052 -176.148 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.1 m -113.08 135.22 53.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.006 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.26 115.9 3.79 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 119.798 -1.191 . . . . 0.0 114.183 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.606 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 30.3 t -148.58 137.24 21.42 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.98 -2.96 17.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.623 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.41 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.0 -31.88 3.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.329 177.07 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.606 ' O ' ' HB3' ' A' ' 11' ' ' SER . 27.1 mmm-85 -128.66 95.39 4.1 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.54 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.405 ' CZ3' HD12 ' A' ' 17' ' ' ILE . 81.8 t90 -103.65 129.37 50.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.47 148.51 20.2 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.739 -1.22 . . . . 0.0 114.14 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.405 HD12 ' CZ3' ' A' ' 15' ' ' TRP . 3.0 mp -107.56 118.24 54.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -115.54 113.25 23.38 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.859 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -82.09 104.95 12.8 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 CA--C 1.512 -0.481 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.637 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 p90 . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 29' ' ' SER . 15.8 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.256 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 28' ' ' SER . 22.7 t 172.07 146.49 0.04 OUTLIER 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.29 -45.3 88.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 110.505 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -65.68 -36.15 82.81 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.78 87.76 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 120.829 0.347 . . . . 0.0 110.629 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.63 39.79 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.327 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -67.08 -41.26 86.63 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.2 -54.65 44.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.009 0.433 . . . . 0.0 110.509 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.58 93.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.206 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.21 -50.54 73.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.129 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.61 -37.33 82.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.855 0.359 . . . . 0.0 111.212 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.0 77.7 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.353 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.76 88.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.58 94.36 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.642 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 m -61.03 -49.51 77.11 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.802 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -64.73 -42.55 95.13 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.574 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.51 -51.84 67.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 111.34 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mm -65.2 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.362 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -58.64 -39.54 80.84 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.241 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -86.6 -17.59 33.54 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.636 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 23.34 30.47 Favored Glycine 0 C--N 1.316 -0.568 0 C-N-CA 119.862 -1.161 . . . . 0.0 111.184 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.574 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 63.7 m170 -65.65 137.63 57.46 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.69 138.95 57.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.064 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.96 134.88 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.289 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -118.91 134.41 55.19 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -125.51 117.47 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -130.74 95.01 3.74 Favored 'General case' 0 N--CA 1.417 -2.103 0 CA-C-O 121.887 0.851 . . . . 0.0 110.941 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.385 178.052 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -102.8 133.44 47.85 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.702 . . . . 0.0 112.444 -174.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -122.32 116.8 24.69 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.19 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -92.55 107.03 18.91 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -92.63 145.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.045 -174.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 m -111.45 130.95 64.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 173.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.57 112.63 3.04 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 119.657 -1.259 . . . . 0.0 113.171 -175.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -153.54 142.73 21.42 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 176.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.687 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 7.6 p-10 -71.57 -7.96 50.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.943 0.401 . . . . 0.0 111.778 -178.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.488 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 3.7 p30 -112.89 -30.59 6.99 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.724 178.178 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 55.7 mmm-85 -129.4 111.4 12.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.435 ' CZ2' HD13 ' A' ' 17' ' ' ILE . 68.7 t90 -116.84 132.98 56.56 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.67 132.25 4.67 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 119.428 -1.367 . . . . 0.0 115.992 -173.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.435 HD13 ' CZ2' ' A' ' 15' ' ' TRP . 50.5 mm -104.65 105.85 19.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.102 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 18' ' ' ARG . 20.6 ttp85 -115.94 116.82 28.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.653 0.263 . . . . 0.0 110.946 -176.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -82.48 92.75 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.065 0.46 . . . . 0.0 112.027 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.308 -1.217 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.831 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.5 p90 . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -66.58 -42.4 87.04 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p 176.4 150.7 0.14 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.547 0.339 . . . . 0.0 110.487 178.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.724 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.71 -37.27 84.36 Favored 'General case' 0 C--O 1.198 -1.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -35.1 78.57 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.43 -53.2 25.18 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.298 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -68.03 -43.7 78.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.83 -53.98 52.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.887 0.375 . . . . 0.0 110.734 -178.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.093 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.75 76.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.3 m -66.85 -36.89 83.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.028 0.442 . . . . 0.0 110.626 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.42 80.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.51 78.02 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.166 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.66 89.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.764 178.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -61.86 -46.2 90.5 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 178.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.21 -39.04 93.16 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.187 177.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.752 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -58.37 -52.11 66.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.628 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -67.27 -40.78 85.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.253 0.549 . . . . 0.0 109.788 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 ttmt -57.52 -44.97 85.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.083 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.663 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 44.3 t80 -92.68 -6.1 49.97 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -175.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.9 32.59 23.48 Favored Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 119.808 -1.187 . . . . 0.0 111.987 -178.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.752 ' CG ' ' HA ' ' A' ' 44' ' ' ALA . 23.5 m170 -66.51 140.99 58.03 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.518 179.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.74 123.28 18.01 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.197 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.63 125.5 48.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.218 0.533 . . . . 0.0 111.766 -175.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -130.89 130.86 44.07 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.272 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mp -125.82 116.9 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -126.11 97.04 4.93 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.757 0.789 . . . . 0.0 111.886 -178.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--N 1.315 -0.913 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.199 177.531 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.568 ' HB3' ' OD1' ' A' ' 70' ' ' ASN . 15.2 tpt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.704 0.288 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.1 -138.36 9.12 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.654 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -159.96 113.15 2.15 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.71 81.94 8.64 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.407 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -107.59 125.03 50.81 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.922 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.06 128.38 55.85 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.714 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -87.84 108.67 19.27 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.6 pt -100.1 142.38 15.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.388 -175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -110.63 134.33 53.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.54 113.56 3.55 Favored Glycine 0 N--CA 1.426 -2.01 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.334 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.664 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 69.5 m -155.46 127.3 7.49 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 9.9 p-10 -69.88 -8.41 48.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 20.3 m120 -109.73 -30.54 7.82 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.682 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.664 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.3 mmm-85 -138.32 96.51 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.543 ' CZ2' HD13 ' A' ' 17' ' ' ILE . 89.6 t90 -101.76 131.26 48.15 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.15 149.93 21.9 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 118.979 -1.581 . . . . 0.0 113.799 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.543 HD13 ' CZ2' ' A' ' 15' ' ' TRP . 48.0 mm -115.44 122.84 70.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 122.381 0.272 . . . . 0.0 110.324 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' A' ' 54' ' ' THR . 63.7 ttp85 -112.42 120.2 40.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.356 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.446 ' HB2' HG11 ' A' ' 55' ' ' VAL . 30.2 t-80 -74.81 117.19 16.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -67.41 94.54 0.4 Allowed 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 123.993 0.808 . . . . 0.0 109.366 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -70.1 -22.27 63.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.215 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -116.82 101.41 53.52 Favored Pre-proline 0 C--N 1.314 -0.952 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -43.16 93.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 123.769 2.979 . . . . 0.0 114.059 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 p -69.76 -38.37 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.569 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.12 1.74 84.16 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.265 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -99.81 100.49 11.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.092 0.472 . . . . 0.0 111.698 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -159.72 138.14 10.48 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.543 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 m -65.55 -40.65 93.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 t -171.77 158.87 5.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.735 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.54 -45.93 88.33 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.86 -36.81 83.17 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.072 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.74 85.94 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.16 -51.72 35.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -64.79 -44.23 90.62 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -58.09 -53.61 56.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.919 0.39 . . . . 0.0 110.706 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.69 92.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.76 72.28 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.628 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.68 -38.0 85.91 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.87 0.366 . . . . 0.0 111.014 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.88 83.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.608 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.12 86.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.41 95.06 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -61.22 -45.88 92.75 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.03 0.443 . . . . 0.0 110.162 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -63.53 -40.81 97.99 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.682 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -58.64 -52.84 63.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.254 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.11 -37.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-O 121.26 0.553 . . . . 0.0 110.006 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.705 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.591 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 20.2 t80 -92.14 -3.21 55.96 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.18 22.03 53.22 Favored Glycine 0 N--CA 1.464 0.514 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.825 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.591 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 41.3 m170 -66.05 135.24 54.37 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.26 132.96 55.58 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -104.02 120.1 53.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -116.92 118.23 31.88 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.51 110.96 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 34.4 m -127.74 92.99 3.59 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.593 0.711 . . . . 0.0 109.388 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 55' ' ' VAL . 30.9 m -128.8 87.88 53.48 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.228 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.89 140.08 88.43 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.107 1.871 . . . . 0.0 111.78 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -136.28 -114.48 1.35 Allowed Glycine 0 N--CA 1.44 -1.038 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.349 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.68 -8.47 57.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.251 0.548 . . . . 0.0 110.543 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -83.4 -7.74 59.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.164 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.36 66.28 2.69 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.989 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -63.24 -41.63 99.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.716 0.294 . . . . 0.0 110.726 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.18 -36.13 83.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.2 p -87.37 28.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.689 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 45.9 38.43 4.48 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.395 0.678 . . . . 0.0 112.275 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 64.0 81.99 0.19 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.002 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.66 57.52 4.2 Favored Glycine 0 CA--C 1.51 -0.263 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.095 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.476 ' C ' HG13 ' A' ' 68' ' ' ILE . 28.6 t -92.67 -77.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.476 HG13 ' C ' ' A' ' 67' ' ' VAL . 2.8 pp 42.78 23.54 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 69' ' ' THR . 9.6 t -98.31 81.78 2.81 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.967 0.889 . . . . 0.0 110.93 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.568 ' OD1' ' HB3' ' A' ' 1' ' ' MET . 7.9 p30 . . . . . 0 C--O 1.254 1.312 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.898 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtm . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.515 0.198 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.68 -58.38 4.73 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.935 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -67.06 130.46 43.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -145.72 99.02 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.117 0.484 . . . . 0.0 111.065 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 27' ' ' TYR . 86.8 t80 -128.43 132.99 48.46 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.12 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.493 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 44.5 p90 -135.61 122.21 20.82 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.725 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.2 t0 -86.64 126.4 34.5 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.542 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.0 pt -102.18 154.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -123.74 129.4 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.831 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.52 114.79 2.33 Favored Glycine 0 N--CA 1.441 -1.028 0 C-N-CA 119.413 -1.375 . . . . 0.0 114.216 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.56 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 47.2 m -124.45 148.83 47.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.74 -9.78 58.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -113.82 -29.36 7.1 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 11' ' ' SER . 34.8 ttt180 -135.65 122.17 20.72 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -123.61 129.22 50.82 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.827 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -142.9 147.2 18.54 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 119.956 -1.116 . . . . 0.0 114.011 -175.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.93 117.47 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.725 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 1.3 ttt-85 -109.67 104.58 13.6 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.887 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -81.68 129.37 34.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.724 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' CG ' HH12 ' A' ' 18' ' ' ARG . 2.8 m-20 -71.03 105.69 3.41 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.98 -37.74 88.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.701 0.762 . . . . 0.0 109.28 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -112.59 92.18 19.21 Favored Pre-proline 0 C--N 1.311 -1.09 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.09 120.12 5.18 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.959 2.44 . . . . 0.0 113.132 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 p -70.47 -36.84 74.1 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.618 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.93 -21.78 32.07 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 113.915 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.17 126.44 34.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.991 0.424 . . . . 0.0 111.897 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.542 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 44.3 p90 -154.04 150.6 28.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.913 176.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -69.15 -40.85 77.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.513 0.673 . . . . 0.0 109.652 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.1 t -167.72 142.31 3.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.981 -1.008 . . . . 0.0 108.826 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 28.2 ttpp -65.86 -43.58 87.97 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.21 -35.37 80.26 Favored 'General case' 0 C--O 1.194 -1.865 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.514 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.68 83.44 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 123.221 0.326 . . . . 0.0 110.926 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.84 61.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 91.8 m-85 -65.45 -40.69 93.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 111.127 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.63 -54.9 40.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.105 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.75 85.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.29 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.349 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -67.87 -36.42 80.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.292 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.58 96.89 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.135 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.95 85.05 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.6 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.28 99.12 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.433 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 p -62.78 -45.92 90.42 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.671 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -63.06 -41.09 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 0.0 109.805 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -59.89 -52.28 66.12 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.966 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.422 ' O ' HD11 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -69.78 -40.22 78.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.502 -178.389 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.73 -41.29 99.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.645 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 31.4 t80 -86.92 -5.81 58.98 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 30.92 35.98 Favored Glycine 0 CA--C 1.502 -0.739 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.645 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 33.7 m170 -65.54 143.02 57.91 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.89 118.95 7.9 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.1 126.86 49.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.445 0.64 . . . . 0.0 111.62 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.532 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 69.6 mmt-85 -128.36 134.34 48.84 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.393 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.3 mm -126.26 117.21 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 p -123.99 98.66 5.89 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.392 0.615 . . . . 0.0 111.294 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 p -123.89 89.57 51.45 Favored Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.217 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.6 145.23 63.26 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.757 2.305 . . . . 0.0 112.103 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.65 176.02 28.3 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.734 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -90.19 20.41 4.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.461 0.648 . . . . 0.0 110.667 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.49 20.99 2.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.336 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.52 -56.26 0.87 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.497 -176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.9 m -75.07 125.28 28.6 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -78.61 89.37 4.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.935 0.398 . . . . 0.0 110.25 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.5 t -88.8 159.85 17.54 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.407 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -74.78 140.5 44.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.47 136.52 53.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.688 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.89 -5.43 2.24 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.241 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.6 m -83.14 103.04 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.578 0.704 . . . . 0.0 110.901 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.0 pt -95.14 -8.85 9.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.32 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.4 m -98.42 115.27 28.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.962 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.255 1.361 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.748 178.764 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.13 -101.52 1.03 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.997 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -165.93 143.55 5.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.08 110.3 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.727 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -118.18 126.23 51.79 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.649 0.738 . . . . 0.0 111.78 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.469 ' HE1' ' CE2' ' A' ' 34' ' ' PHE . 46.8 p90 -118.71 136.16 54.09 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.577 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -90.53 115.19 27.48 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.372 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.19 143.99 10.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.972 -178.008 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.02 131.84 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.17 114.89 3.79 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.532 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.657 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.9 m -153.29 129.16 10.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.97 -10.24 57.91 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -107.1 -29.13 9.57 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.199 -1.0 . . . . 0.0 110.122 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.657 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.0 mmm-85 -136.89 100.27 4.26 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.48 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.691 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 31.3 t90 -101.81 126.37 48.67 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.261 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.38 141.44 12.75 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.476 -0.868 . . . . 0.0 113.326 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.685 HD13 ' CZ3' ' A' ' 15' ' ' TRP . 21.0 mt -115.06 124.26 71.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 54' ' ' THR . 66.0 ttp85 -120.46 120.39 35.78 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.24 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -75.42 123.48 25.48 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -66.34 118.33 9.87 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.984 -173.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -87.18 -5.24 59.05 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.508 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -135.61 108.46 10.08 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.79 110.03 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.003 2.469 . . . . 0.0 113.37 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -88.15 -18.41 28.83 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.105 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.71 -44.96 2.09 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-N 115.506 -0.77 . . . . 0.0 114.676 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.07 126.33 30.79 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -176.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -154.21 138.43 16.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.124 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -68.85 -41.22 78.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.817 0.342 . . . . 0.0 111.281 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -171.44 151.73 3.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.576 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -65.06 -42.78 93.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.78 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.44 -36.53 83.03 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.662 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.44 81.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 120.624 0.25 . . . . 0.0 110.665 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.25 5.37 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.469 ' CE2' ' HE1' ' A' ' 6' ' ' TYR . 85.5 m-85 -63.99 -46.77 83.11 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.96 -53.96 52.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 -177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.08 85.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.862 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.76 68.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.809 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.42 -36.11 82.0 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.52 75.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.059 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.723 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.691 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -62.62 -37.73 87.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.002 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 m -61.26 -46.19 91.41 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.987 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.36 -44.11 95.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.849 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.425 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.25 -51.06 71.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.938 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -68.84 -38.11 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 0.0 111.254 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.14 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -87.62 -6.05 58.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.97 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.05 20.77 79.16 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.857 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.425 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 60.7 m170 -65.52 137.08 57.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.15 126.43 27.49 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.261 -0.575 . . . . 0.0 109.716 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 17.7 m -109.81 127.42 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.353 0.597 . . . . 0.0 110.1 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -114.69 115.94 27.9 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.94 109.86 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 27.1 m -119.05 96.36 5.2 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 121.644 0.735 . . . . 0.0 109.547 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m -116.93 87.87 23.91 Favored Pre-proline 0 C--N 1.306 -1.323 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.029 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -73.71 148.55 41.79 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.29 1.994 . . . . 0.0 111.971 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.92 -9.71 6.7 Favored Glycine 0 N--CA 1.438 -1.181 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.477 ' OD1' ' HB3' ' A' ' 61' ' ' SER . 24.0 p-10 -99.93 163.08 12.6 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.115 -0.543 . . . . 0.0 110.538 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -81.72 113.19 19.53 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.454 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.48 69.94 1.19 Allowed Glycine 0 C--N 1.341 0.809 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.464 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB3' ' OD1' ' A' ' 58' ' ' ASN . 45.9 p -87.25 -15.67 37.47 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -109.28 -63.47 1.35 Allowed 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.544 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.48 2.28 0.54 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 t30 73.93 -39.04 0.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.29 0.636 . . . . 0.0 112.278 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.56 -165.42 0.21 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.052 0.541 . . . . 0.0 111.775 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.78 158.97 31.91 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.2 108.71 19.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.659 0.743 . . . . 0.0 111.438 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.0 pt -97.37 0.99 10.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.484 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.5 t -88.61 120.22 29.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.389 0.614 . . . . 0.0 111.185 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.316 -0.885 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.507 178.71 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.696 0.284 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.93 84.35 0.99 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.452 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -164.41 109.41 0.98 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.02 91.08 8.58 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -107.99 137.69 45.55 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.043 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.567 ' HH ' ' HA ' ' A' ' 34' ' ' PHE . 33.9 p90 -123.28 125.12 44.46 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.65 110.66 21.82 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.446 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 pt -88.53 151.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.864 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -113.8 130.79 67.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 176.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.89 113.95 3.75 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 119.459 -1.353 . . . . 0.0 112.017 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.597 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 73.2 m -151.44 138.87 19.47 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.559 -0.32 . . . . 0.0 110.659 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.471 ' HA ' ' NE2' ' A' ' 49' ' ' HIS . 10.6 m-20 -70.21 -22.98 62.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -112.72 -32.85 6.29 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.13 -1.028 . . . . 0.0 113.003 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 11' ' ' SER . 51.8 mmm-85 -127.48 86.91 2.55 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.17 0.51 . . . . 0.0 110.459 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -98.73 133.17 43.43 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.506 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -150.37 148.65 20.07 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.51 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.18 121.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -113.1 119.72 38.82 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.92 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 55' ' ' VAL . 43.3 t-80 -78.34 122.44 25.76 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -84.32 110.65 18.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -86.6 -6.35 58.89 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -138.05 168.11 17.45 Favored Pre-proline 0 C--N 1.309 -1.189 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -71.31 67.32 2.71 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.11 1.873 . . . . 0.0 112.615 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -100.52 -39.1 8.09 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.732 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.54 94.75 0.97 Allowed Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -85.06 105.04 15.51 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.21 0.529 . . . . 0.0 109.665 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -93.79 150.08 20.69 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.098 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -62.9 -42.66 99.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 p -153.18 149.89 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.019 0.438 . . . . 0.0 111.112 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 55.1 tttp -64.8 -42.61 94.88 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.977 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.03 -37.92 87.08 Favored 'General case' 0 C--O 1.203 -1.374 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.432 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.94 76.03 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.152 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.99 -54.44 15.23 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.133 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.567 ' HA ' ' HH ' ' A' ' 6' ' ' TYR . 84.5 m-85 -65.68 -44.04 87.43 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.82 -55.41 35.48 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.885 0.374 . . . . 0.0 111.065 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.83 77.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.06 94.41 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.99 -36.26 81.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.302 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.66 98.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 109.679 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.361 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.53 88.16 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 p -64.6 -37.2 86.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.346 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.211 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.588 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.83 -50.48 73.63 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.182 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.9 mm -63.56 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.151 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.48 -43.11 93.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.623 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.518 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 8.7 t80 -86.8 -2.65 58.73 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.19 28.06 50.42 Favored Glycine 0 CA--C 1.509 -0.327 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.64 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.588 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 48.2 m170 -67.92 135.84 53.06 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.86 138.06 58.43 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.51 113.71 44.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.138 0.494 . . . . 0.0 112.092 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 52' ' ' ARG . 49.7 mmt-85 -111.19 138.77 47.22 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.691 174.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.4 mt -128.34 115.93 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.6 p -126.63 96.64 4.73 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-O 121.377 0.608 . . . . 0.0 109.867 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' A' ' 19' ' ' HIS . 3.5 p -115.58 83.54 11.23 Favored Pre-proline 0 C--N 1.31 -1.123 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.842 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 19' ' ' HIS . 83.1 Cg_endo -87.7 152.75 7.48 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 122.41 2.073 . . . . 0.0 112.139 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.13 -37.35 0.7 Allowed Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 175.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -177.22 110.88 0.08 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.824 0.85 . . . . 0.0 109.282 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -87.23 -10.43 52.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.217 0.532 . . . . 0.0 110.458 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.47 -41.55 2.46 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.094 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 p -72.73 136.58 45.55 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 120.857 0.36 . . . . 0.0 110.251 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -79.04 97.06 5.96 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.835 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 m -148.58 82.48 1.46 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.319 0.58 . . . . 0.0 110.419 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -99.04 111.23 23.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.246 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.4 mt -78.56 -75.58 0.22 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.3 175.66 42.01 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.112 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.3 m -88.36 127.03 41.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.056 0.455 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.9 pt -94.17 9.91 4.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.941 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.4 m -89.36 111.65 22.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.137 0.494 . . . . 0.0 110.628 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 m120 . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.344 178.818 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.896 0.379 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.89 22.66 73.98 Favored Glycine 0 C--O 1.237 0.327 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.322 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.479 ' HG2' ' OH ' ' A' ' 27' ' ' TYR . 66.2 tttt -67.6 137.9 56.01 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.08 91.69 8.49 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.613 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 78.7 t80 -130.23 132.21 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.655 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.508 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 24.5 p90 -120.23 131.06 54.8 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.548 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 40.7 t0 -86.53 107.69 18.22 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.614 -174.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -92.87 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.636 0.731 . . . . 0.0 112.74 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.77 132.68 67.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.59 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -109.47 119.29 5.44 Favored Glycine 0 CA--C 1.495 -1.186 0 C-N-CA 119.397 -1.382 . . . . 0.0 112.494 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.685 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.2 m -154.67 128.53 8.75 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-O 121.098 0.475 . . . . 0.0 111.594 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 -12.3 61.53 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.998 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -107.34 -35.14 6.88 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 118.298 -1.361 . . . . 0.0 111.317 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 11' ' ' SER . 38.0 ttm105 -143.9 108.11 4.77 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.007 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.59 ' CZ3' ' HA2' ' A' ' 10' ' ' GLY . 25.1 t-105 -102.86 129.65 49.62 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.864 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.88 136.95 9.21 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.092 -1.052 . . . . 0.0 113.827 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.436 HD12 ' HE1' ' A' ' 15' ' ' TRP . 48.8 mm -102.22 111.58 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 109.4 176.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.548 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 9.9 ttt-85 -108.72 119.34 39.24 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.3 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -78.05 127.0 31.66 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 122.262 -0.273 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -96.97 103.14 15.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.03 -16.6 27.65 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.644 0.735 . . . . 0.0 110.404 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -121.01 91.55 47.97 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.12 -0.946 . . . . 0.0 108.561 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -39.73 102.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 124.084 3.19 . . . . 0.0 114.313 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -111.28 -34.82 6.03 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.94 177.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.4 107.55 1.86 Allowed Glycine 0 N--CA 1.432 -1.613 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.586 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.71 164.21 23.9 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 4.2 p90 -137.66 137.66 38.64 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -64.59 -40.37 95.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.088 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -143.62 142.71 31.16 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.432 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 41.2 ttmt -64.28 -43.51 94.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 109.844 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.22 -32.07 73.55 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.166 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.01 91.68 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.877 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -50.72 41.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.155 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 62.4 m-85 -62.73 -46.89 86.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.55 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.49 84.81 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.528 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -47.93 83.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.11 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.21 -36.61 82.07 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.895 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.02 97.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 121.649 0.737 . . . . 0.0 110.152 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.23 -36.06 80.87 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.565 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.24 99.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.944 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 p -63.61 -38.23 90.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.128 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.51 -41.24 98.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.293 0.568 . . . . 0.0 110.04 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.529 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.21 -51.74 68.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.578 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.62 -31.05 44.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.218 0.532 . . . . 0.0 110.387 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.16 -45.41 94.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.745 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -88.86 -3.95 58.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.29 25.54 65.8 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 120.109 -1.044 . . . . 0.0 111.815 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.529 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 65.7 m170 -65.62 138.65 58.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.48 121.18 12.62 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.49 129.83 54.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-O 121.027 0.441 . . . . 0.0 110.132 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -121.85 130.5 53.42 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -130.84 113.42 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.3 p -121.78 97.64 5.58 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.831 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.5 92.88 5.45 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -91.52 137.79 2.05 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 122.584 2.189 . . . . 0.0 111.772 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.49 125.73 4.43 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.728 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.3 t30 62.57 29.7 16.99 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.15 0.58 . . . . 0.0 111.505 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.6 -37.17 84.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.09 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.39 19.05 43.09 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.387 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.8 t -84.83 -15.02 46.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.987 0.422 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -130.06 -43.7 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 111.229 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.2 p -85.91 95.33 9.43 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.076 0.465 . . . . 0.0 110.683 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -94.6 99.58 11.69 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.8 mt -93.04 -7.24 46.28 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.279 0.561 . . . . 0.0 110.026 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.78 -178.9 26.03 Favored Glycine 0 N--CA 1.43 -1.74 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.989 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.9 m -94.35 119.78 42.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-O 121.124 0.487 . . . . 0.0 111.47 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.5 tt -90.0 114.29 27.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.136 0.493 . . . . 0.0 109.772 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.4 m -102.33 108.53 19.92 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.55 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.3 m120 . . . . . 0 C--N 1.314 -0.963 0 CA-C-O 118.646 -0.693 . . . . 0.0 109.484 178.772 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.473 0.725 0 CA-C-O 120.662 0.268 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.3 102.53 2.71 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.939 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -70.52 123.44 21.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.853 0.358 . . . . 0.0 110.754 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.508 ' HB1' ' HZ2' ' A' ' 30' ' ' LYS . . . -84.95 102.2 12.96 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.126 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.428 ' OH ' ' HB3' ' A' ' 7' ' ' ASP . 17.0 t80 -102.78 137.64 40.72 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.871 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.526 ' OH ' ' HA ' ' A' ' 34' ' ' PHE . 35.6 p90 -147.77 125.28 11.7 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.428 ' HB3' ' OH ' ' A' ' 5' ' ' TYR . 1.6 p30 -96.01 147.36 23.78 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.263 0.554 . . . . 0.0 110.768 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 pt -103.24 145.81 11.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.568 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 131.74 62.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.46 114.46 3.79 Favored Glycine 0 N--CA 1.439 -1.151 0 C-N-CA 119.769 -1.205 . . . . 0.0 112.299 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.656 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 68.7 m -150.43 126.93 10.8 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.42 -7.21 29.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -112.15 -33.16 6.32 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 118.934 -1.106 . . . . 0.0 111.326 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.656 ' O ' ' HB2' ' A' ' 11' ' ' SER . 56.8 mmm-85 -140.1 102.12 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -99.79 128.72 45.87 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.06 143.14 14.38 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.753 -1.213 . . . . 0.0 114.721 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.8 mm -108.23 113.74 44.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -112.91 111.65 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.664 -0.415 . . . . 0.0 111.723 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' HA ' ' CB ' ' A' ' 6' ' ' TYR . 62.9 t-80 -84.54 99.11 10.52 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.478 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -80.5 119.64 23.44 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.2 -1.77 24.82 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.591 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -121.93 134.67 24.79 Favored Pre-proline 0 N--CA 1.448 -0.549 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -71.32 77.92 1.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.962 1.775 . . . . 0.0 112.41 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -72.77 -37.81 67.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.616 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.78 69.87 0.52 Allowed Glycine 0 N--CA 1.437 -1.247 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.53 133.43 50.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.555 0.693 . . . . 0.0 112.138 -173.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -84.08 140.46 31.8 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.759 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -70.15 -25.72 63.59 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.319 175.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 p -151.43 142.98 23.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.883 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HZ2' ' HB1' ' A' ' 4' ' ' ALA . 29.7 mttm -71.17 -33.75 70.3 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.34 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.99 -33.67 75.89 Favored 'General case' 0 C--O 1.195 -1.774 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.083 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.79 97.57 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.967 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.4 -53.32 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.366 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.526 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 70.7 m-85 -63.71 -45.23 90.94 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.49 -49.61 76.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.83 90.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.0 88.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.057 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 -37.33 86.76 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.142 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.77 87.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.79 99.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.168 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.6 91.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.781 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.638 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 49.2 m -61.48 -47.02 87.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.84 -41.97 98.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.63 -51.05 71.03 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.405 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.65 -31.54 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.295 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' A' ' 42' ' ' SER . 29.1 mtpp -62.41 -42.71 99.64 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.607 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -88.7 -2.9 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 111.115 -177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.41 17.66 66.02 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.51 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -67.43 133.8 50.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -61.44 130.45 46.1 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.395 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.85 114.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -101.08 124.65 47.13 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.121 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -115.59 110.35 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.916 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.9 p -120.25 97.11 5.43 Favored 'General case' 0 N--CA 1.414 -2.241 0 CA-C-O 121.771 0.796 . . . . 0.0 109.727 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 19' ' ' HIS . 8.0 m -122.94 90.3 50.3 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.537 -176.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 19' ' ' HIS . 16.6 Cg_exo -68.88 142.96 53.49 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.471 2.114 . . . . 0.0 110.868 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.8 164.47 12.73 Favored Glycine 0 CA--C 1.494 -1.26 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -83.57 148.96 26.88 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.274 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -65.53 -77.49 0.06 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.672 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.9 10.53 61.6 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.366 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -96.96 -61.32 1.42 Allowed 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.815 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.0 12.35 26.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.1 p -93.62 1.3 56.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.073 0.463 . . . . 0.0 111.196 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -95.55 104.87 16.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 mp -82.92 132.58 35.15 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.83 40.9 9.13 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.237 -0.982 . . . . 0.0 111.32 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.1 p -84.31 149.27 4.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.68 0.276 . . . . 0.0 110.697 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.3 pt -83.18 132.19 31.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -129.81 -6.26 4.55 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.026 0.441 . . . . 0.0 110.437 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.9 p30 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.34 178.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.9 mtm . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.962 0.41 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.15 153.97 8.01 Favored Glycine 0 N--CA 1.437 -1.243 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -69.84 139.62 53.13 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.091 0.472 . . . . 0.0 111.32 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.31 81.88 1.48 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.886 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.17 137.04 43.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.917 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -114.2 117.75 32.05 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.518 174.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.629 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 43.5 t0 -91.07 108.15 19.68 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.09 151.5 5.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 121.398 0.618 . . . . 0.0 112.314 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.98 137.77 49.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.353 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.02 114.34 3.67 Favored Glycine 0 N--CA 1.441 -1.023 0 C-N-CA 119.618 -1.277 . . . . 0.0 113.556 -174.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.494 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.6 m -151.53 116.28 5.16 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.92 28.83 0.06 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 11' ' ' SER . 25.6 p-10 -135.35 -35.08 0.83 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.286 0.565 . . . . 0.0 109.78 174.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' SER . 62.3 ttt180 -142.0 114.46 8.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' NE1' ' HB3' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -112.42 130.05 56.11 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.864 -174.683 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.12 135.49 10.71 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 119.901 -1.142 . . . . 0.0 114.538 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mm -104.72 110.62 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.629 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 13.2 ttt-85 -111.79 119.22 37.88 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -78.42 136.96 37.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 18.1 t70 -79.17 88.49 4.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.156 0.503 . . . . 0.0 110.482 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -90.83 -3.44 57.39 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.699 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -121.1 88.68 45.45 Favored Pre-proline 0 C--N 1.317 -0.834 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -37.09 108.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 124.569 3.513 . . . . 0.0 115.854 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.7 p -94.81 -30.12 14.39 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 171.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.32 -44.04 0.33 Allowed Glycine 0 C--N 1.35 1.308 0 CA-C-N 114.002 -1.454 . . . . 0.0 115.443 173.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -84.33 113.05 20.86 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -152.37 158.0 42.07 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -62.54 -42.6 99.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 p -167.19 157.13 10.96 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.92 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -65.38 -40.82 93.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.544 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.04 -36.23 83.71 Favored 'General case' 0 C--O 1.199 -1.582 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.639 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.81 71.34 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.63 0.252 . . . . 0.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.11 -55.39 8.3 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.312 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -64.91 -43.0 94.26 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.85 -54.48 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.912 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.78 83.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.97 83.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.51 -37.89 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.412 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 121.279 0.562 . . . . 0.0 110.229 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HB3' ' NE1' ' A' ' 15' ' ' TRP . . . -64.38 -43.93 92.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.348 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.22 94.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.51 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 19.9 p -64.3 -41.55 96.8 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.652 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.942 0.401 . . . . 0.0 110.182 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.04 71.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.269 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.2 tt -66.57 -34.9 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.543 -176.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 42' ' ' SER . 62.1 mtpt -61.32 -39.54 90.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.555 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -89.72 -0.39 57.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.749 0.309 . . . . 0.0 111.657 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.65 76.17 Favored Glycine 0 CA--C 1.498 -1.03 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.377 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.469 ' O ' HG21 ' A' ' 51' ' ' VAL . 45.7 m170 -65.78 145.12 56.37 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -60.93 107.84 0.77 Allowed 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.252 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 49' ' ' HIS . 61.6 t -100.36 108.42 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 121.155 0.503 . . . . 0.0 110.377 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -110.64 119.43 39.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.796 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -106.2 110.88 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.526 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 1.8 m -117.59 98.8 6.57 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -177.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 p -111.27 87.78 7.93 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.589 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.526 ' HD3' ' O ' ' A' ' 54' ' ' THR . 5.7 Cg_exo -76.91 160.16 34.01 Favored 'Trans proline' 0 C--O 1.245 0.87 0 C-N-CA 123.206 2.604 . . . . 0.0 110.761 175.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.64 57.16 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.641 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -154.82 127.04 7.78 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.215 0.531 . . . . 0.0 110.241 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -81.54 135.14 35.58 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.14 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.4 -13.44 11.03 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.284 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.0 t -70.82 99.65 1.77 Allowed 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 67.67 -67.0 0.19 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.582 0.753 . . . . 0.0 110.67 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.479 ' OG1' ' HG ' ' A' ' 65' ' ' LEU . 10.1 t -95.65 140.55 30.31 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 121.131 0.491 . . . . 0.0 110.473 178.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -109.9 22.26 15.86 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.11 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.479 ' HG ' ' OG1' ' A' ' 63' ' ' THR . 98.4 mt -62.88 139.59 58.74 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.31 114.93 6.67 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.626 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.13 122.89 42.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.101 0.476 . . . . 0.0 111.459 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.5 tp -90.6 120.61 39.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.829 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -100.79 116.31 32.38 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.707 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.255 1.349 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.236 -177.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.671 0.272 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.14 -81.83 1.59 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.44 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -71.88 142.14 49.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.38 89.01 7.69 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 85.7 t80 -113.3 134.52 54.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.261 0.553 . . . . 0.0 111.632 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.45 131.12 57.03 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.5 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.84 116.64 29.07 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mp -106.38 133.03 52.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-O 120.927 0.394 . . . . 0.0 110.278 -176.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -103.83 129.45 55.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.56 114.56 3.52 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.891 -1.147 . . . . 0.0 112.905 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -151.6 140.3 20.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.99 -2.51 15.57 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -108.13 -33.36 7.18 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.377 175.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -143.0 125.09 15.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.955 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.454 ' CZ2' HD13 ' A' ' 17' ' ' ILE . 89.3 t90 -118.04 134.28 55.12 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.69 149.25 21.12 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 119.009 -1.567 . . . . 0.0 116.374 -173.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.454 HD13 ' CZ2' ' A' ' 15' ' ' TRP . 46.7 mm -115.92 117.49 55.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 123.596 0.758 . . . . 0.0 109.212 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -116.41 120.57 39.24 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.571 0.224 . . . . 0.0 110.919 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.64 118.75 24.05 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 120.244 -0.583 . . . . 0.0 109.91 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.87 127.08 30.09 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.4 -2.01 37.26 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.441 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 24' ' ' THR . 1.5 p-10 -127.71 172.91 6.04 Favored Pre-proline 0 C--N 1.313 -0.984 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.479 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.13 36.71 0.09 OUTLIER 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 123.743 2.962 . . . . 0.0 114.974 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.416 ' H ' ' C ' ' A' ' 22' ' ' ASP . 89.7 m -101.54 -12.75 18.26 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.546 0.688 . . . . 0.0 109.315 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.41 62.47 2.26 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.305 -0.862 . . . . 0.0 114.111 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -114.7 149.78 36.26 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' HB3' ' CD1' ' A' ' 5' ' ' TYR . 24.4 p90 -148.56 154.17 39.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -70.09 -41.65 73.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.926 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -148.85 142.38 25.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.973 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.43 -39.0 91.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.25 -36.48 84.25 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.332 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.82 87.84 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.115 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.74 -58.8 3.08 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.668 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -66.36 -47.5 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.07 -48.03 82.01 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.339 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.89 91.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.914 0.387 . . . . 0.0 110.691 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.94 71.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.166 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -66.3 -35.85 81.44 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 111.003 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.4 77.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.288 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.18 -36.38 83.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.557 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.79 90.65 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.757 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -60.39 -46.33 90.38 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.644 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.82 -45.02 91.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.473 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.45 68.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.191 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.8 tt -68.75 -36.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.284 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -62.04 -39.89 93.87 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.957 0.408 . . . . 0.0 110.703 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -85.95 -9.76 56.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.131 -176.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.45 22.81 57.93 Favored Glycine 0 CA--C 1.501 -0.843 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.762 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -67.28 142.37 56.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.09 137.4 58.11 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 p -112.85 131.28 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.85 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.96 114.17 21.14 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.71 111.37 35.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -117.75 95.42 4.93 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-O 121.482 0.658 . . . . 0.0 109.932 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.6 m -125.32 84.87 59.15 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.942 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -74.54 143.29 30.54 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.174 1.916 . . . . 0.0 112.596 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.68 -22.29 6.75 Favored Glycine 0 CA--C 1.501 -0.803 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.74 -164.79 1.16 Allowed 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.425 -0.888 . . . . 0.0 108.789 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.58 105.28 3.06 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.97 -34.88 88.42 Favored Glycine 0 CA--C 1.496 -1.098 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.749 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 63' ' ' THR . 27.5 m -78.23 -4.98 50.5 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.625 -0.288 . . . . 0.0 110.232 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 71.65 -31.78 0.23 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.463 1.105 . . . . 0.0 111.099 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.525 ' H ' ' C ' ' A' ' 61' ' ' SER . 26.9 m -88.05 123.81 33.11 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.274 -178.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -82.19 127.72 33.44 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.1 mt -88.44 -8.13 55.45 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.35 24.88 60.19 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.219 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.5 m -89.16 143.45 11.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.058 0.456 . . . . 0.0 111.502 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.8 tp -85.93 105.93 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.479 0.657 . . . . 0.0 109.723 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.9 m -96.16 84.14 3.74 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.586 0.708 . . . . 0.0 110.591 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.888 178.222 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.472 0.647 0 CA-C-O 120.885 0.374 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.56 166.9 26.42 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.56 130.58 43.48 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.49 105.13 17.59 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.048 0.451 . . . . 0.0 110.756 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -98.23 140.56 32.34 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.922 0.868 . . . . 0.0 111.587 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -124.69 117.94 25.35 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -95.5 108.38 20.61 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-O 121.227 0.537 . . . . 0.0 109.553 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 pp -90.05 145.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.952 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.26 129.05 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.37 114.17 3.73 Favored Glycine 0 CA--C 1.492 -1.353 0 C-N-CA 119.603 -1.284 . . . . 0.0 112.658 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.648 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.7 m -154.26 126.4 7.83 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.332 0.653 . . . . 0.0 109.618 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.04 -3.33 9.85 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.81 -30.13 7.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.518 0.675 . . . . 0.0 110.242 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.648 ' O ' ' HB2' ' A' ' 11' ' ' SER . 8.1 tpt180 -140.17 101.59 4.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.654 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.465 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -107.12 130.03 54.75 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.868 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.13 141.02 11.89 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.684 -1.246 . . . . 0.0 114.268 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.87 109.74 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -112.29 114.65 27.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 111.451 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -81.13 93.29 6.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.168 0.509 . . . . 0.0 111.72 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.91 113.02 24.73 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -59.17 -51.28 70.69 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.63 -171.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t0 179.7 68.82 0.14 Allowed Pre-proline 0 C--O 1.245 0.84 0 CA-C-O 121.092 0.472 . . . . 0.0 112.025 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -95.63 -5.46 1.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.649 2.233 . . . . 0.0 111.536 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -110.35 -32.54 6.91 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.595 -174.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.47 -19.96 3.63 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 121.468 -0.396 . . . . 0.0 113.781 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -114.61 149.58 36.39 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.593 0.235 . . . . 0.0 111.489 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -153.15 136.56 15.84 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.5 m -70.59 -40.52 73.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.17 0.51 . . . . 0.0 110.669 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t 176.55 143.33 0.08 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.129 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -67.05 -45.38 77.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.359 . . . . 0.0 110.445 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.12 -37.91 86.88 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.85 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.26 77.75 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 120.855 0.359 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.01 -57.42 5.48 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.884 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -65.96 -42.31 90.09 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.57 -52.9 63.59 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.4 93.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.587 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -50.0 75.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.018 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.06 -39.88 90.46 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.926 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.97 65.84 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.127 0.489 . . . . 0.0 111.216 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.21 88.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.775 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.86 88.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.914 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.7 m -61.21 -41.95 97.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -60.76 -47.13 87.7 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.922 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.462 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.68 -51.08 70.91 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.966 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.425 ' O ' HD11 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.02 -40.48 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -61.97 -39.77 93.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.927 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.85 -4.41 59.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.731 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.86 11.31 70.74 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.717 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.462 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 50.9 m170 -69.5 134.16 48.56 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.55 133.27 52.02 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.319 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.3 p -113.6 132.36 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-O 121.128 0.489 . . . . 0.0 110.31 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.35 138.61 40.52 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 tt -126.86 110.64 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.438 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -128.49 95.18 4.06 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.159 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.02 94.65 23.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.858 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -65.99 141.74 65.57 Favored 'Trans proline' 0 C--O 1.242 0.711 0 C-N-CA 122.658 2.239 . . . . 0.0 111.604 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.82 -171.1 42.6 Favored Glycine 0 N--CA 1.435 -1.376 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.191 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -74.49 -74.24 0.2 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.761 0.315 . . . . 0.0 110.604 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t70 70.33 93.81 0.08 Allowed 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.063 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.37 -131.15 2.39 Favored Glycine 0 N--CA 1.438 -1.179 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.704 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.8 m -88.67 -4.1 58.63 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -81.47 -6.7 59.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.031 0.443 . . . . 0.0 111.175 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.5 m -93.26 128.6 39.32 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.971 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -68.44 129.51 40.15 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.612 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -87.34 -18.07 30.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.324 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.41 158.68 18.2 Favored Glycine 0 C--O 1.24 0.483 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.722 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.4 146.62 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -82.31 101.32 6.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.2 p -139.54 36.19 2.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.703 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.091 -0.956 . . . . 0.0 111.053 -176.449 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtm . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.731 0.301 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.12 8.44 85.55 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.228 -0.51 . . . . 0.0 112.517 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.35 115.31 8.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.4 81.43 1.67 Allowed 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.228 0.537 . . . . 0.0 110.175 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -124.32 134.37 53.2 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.88 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.406 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 31.2 p90 -127.29 134.82 49.98 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.845 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 53.6 t0 -86.57 108.0 18.39 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.566 HD11 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -90.07 140.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.18 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.5 t -112.19 129.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.86 114.83 3.68 Favored Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.686 -1.245 . . . . 0.0 112.41 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.544 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 43.1 m -150.02 135.98 18.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -72.74 -7.07 48.77 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -109.03 -29.66 8.45 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.216 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 11' ' ' SER . 40.2 ttt180 -139.94 115.03 9.71 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 82.3 t90 -110.66 128.52 55.73 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -137.97 140.7 11.42 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 119.505 -1.331 . . . . 0.0 115.213 -174.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.459 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 47.9 mm -103.72 110.37 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -104.03 112.48 25.48 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.459 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -78.5 123.86 27.52 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -89.79 108.34 19.64 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -92.4 -27.69 17.34 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.756 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.78 116.54 62.47 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -44.99 118.54 2.0 Favored 'Trans proline' 0 C--O 1.239 0.535 0 C-N-CA 123.879 3.053 . . . . 0.0 114.974 -172.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -99.88 -29.35 12.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.144 173.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.25 0.04 81.63 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.253 -0.885 . . . . 0.0 114.647 174.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -99.15 105.68 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 117.723 0.762 . . . . 0.0 112.698 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -153.99 129.02 9.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.081 174.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -67.57 -40.55 84.89 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -166.1 150.68 8.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.53 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -64.59 -48.33 75.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.47 -35.62 79.54 Favored 'General case' 0 C--O 1.192 -1.924 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 120.745 0.307 . . . . 0.0 110.646 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.27 -55.16 11.32 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 87.8 m-85 -63.94 -45.01 91.13 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.77 -53.63 55.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.466 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.16 86.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.323 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -51.42 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.507 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.44 -35.29 79.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.938 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.39 82.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.033 0.445 . . . . 0.0 110.16 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.27 83.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.352 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 45' ' ' ILE . . . -59.98 -41.5 92.14 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 m -61.11 -46.85 88.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.477 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -63.31 -45.0 93.4 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.162 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.48 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -61.6 -52.29 64.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.493 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 41' ' ' ALA . 11.0 tp -70.37 -39.43 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.711 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.33 -35.72 79.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -86.08 -13.51 47.09 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.843 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.42 18.98 56.17 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 119.95 -1.119 . . . . 0.0 111.808 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.48 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 61.6 m170 -66.27 140.14 58.12 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.79 125.02 21.75 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.427 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 p -106.29 123.83 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 22.0 mmt180 -124.39 134.87 53.0 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.108 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -134.04 115.55 21.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.9 p -122.11 99.92 6.69 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.47 0.652 . . . . 0.0 111.399 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -115.52 92.85 34.57 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.683 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -88.36 167.61 6.38 Favored 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.935 2.423 . . . . 0.0 112.156 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.58 -81.09 0.16 Allowed Glycine 0 C--O 1.22 -0.757 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.707 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -128.43 13.04 6.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.468 0.651 . . . . 0.0 111.025 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -88.36 142.43 27.73 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.031 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.75 -23.25 2.32 Favored Glycine 0 C--N 1.317 -0.472 0 C-N-CA 119.952 -1.118 . . . . 0.0 113.306 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.9 m -66.85 101.56 0.84 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.104 0.478 . . . . 0.0 111.964 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 56.09 75.76 0.32 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.675 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.7 p -91.73 113.31 25.54 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.52 103.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.512 0.672 . . . . 0.0 111.645 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.2 tp -121.39 4.2 10.24 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.61 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.43 76.14 1.11 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.4 m -83.18 140.71 15.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.133 0.492 . . . . 0.0 111.511 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.1 tt -88.14 122.41 39.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.606 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.9 t -102.96 116.28 32.23 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.799 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.486 HD21 ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.858 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.938 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.651 0.262 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.54 -119.77 1.64 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.45 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HZ3' ' HB2' ' A' ' 23' ' ' PRO . 57.2 tttm -65.45 106.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.384 0.612 . . . . 0.0 111.085 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.8 115.28 5.15 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.17 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 7' ' ' ASP . 48.8 t80 -115.14 138.71 50.59 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.212 0.53 . . . . 0.0 111.82 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -118.43 115.38 24.53 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.22 175.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 18' ' ' ARG . 22.5 t70 -92.54 120.05 32.61 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.732 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 pt -107.99 151.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.447 0.641 . . . . 0.0 112.426 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -106.96 135.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 116.79 4.38 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.292 -1.432 . . . . 0.0 114.514 -172.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.825 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 31.3 t -156.48 131.61 9.19 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.72 -9.96 59.06 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -104.0 -30.38 10.31 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.357 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.825 ' O ' ' HB3' ' A' ' 11' ' ' SER . 56.1 mtp180 -140.41 111.47 7.07 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.168 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.453 ' N ' ' HD2' ' A' ' 49' ' ' HIS . 2.1 t-105 -127.24 126.31 42.5 Favored 'General case' 0 C--N 1.267 -2.983 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.8 142.16 13.49 Favored Glycine 0 N--CA 1.424 -2.158 0 CA-C-N 115.221 -0.899 . . . . 0.0 113.126 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -102.15 109.54 26.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' NH1' ' HA ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.41 123.01 43.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.761 0.791 . . . . 0.0 112.081 -176.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -72.65 136.31 45.64 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.823 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.535 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 19.4 t0 -76.21 104.14 6.59 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -77.4 -7.7 56.53 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.63 -173.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 6.2 p-10 -135.28 73.16 64.65 Favored Pre-proline 0 C--N 1.308 -1.237 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 170.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.476 ' HB2' ' HZ3' ' A' ' 3' ' ' LYS . 3.4 Cg_endo -43.0 100.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 124.093 3.195 . . . . 0.0 114.693 -171.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.0 p -65.7 -38.04 88.11 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.228 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.47 3.62 86.5 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.644 -0.788 . . . . 0.0 113.125 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.1 96.24 9.81 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 119.951 -0.699 . . . . 0.0 111.064 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -152.11 135.35 15.87 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.125 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -63.93 -40.15 95.78 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 121.511 0.672 . . . . 0.0 109.956 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 m -158.07 150.62 22.4 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.073 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.74 -47.07 85.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.658 0.266 . . . . 0.0 110.931 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.6 -31.86 72.82 Favored 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.24 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.45 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 120.886 0.374 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.73 -52.17 27.8 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.269 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -66.53 -44.28 82.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.9 -50.45 73.99 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.8 0.333 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.05 87.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.129 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -50.16 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.783 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.7 p -66.52 -39.74 88.78 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.693 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.81 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.334 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.38 90.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.55 94.71 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.466 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.5 m -62.81 -45.62 91.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.409 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.23 -43.5 97.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.333 0.587 . . . . 0.0 110.655 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HB1' ' CG ' ' A' ' 49' ' ' HIS . . . -62.62 -46.72 86.98 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.71 -31.33 51.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.62 -31.9 72.83 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.317 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -84.6 -7.75 59.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.321 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.77 21.33 56.19 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.419 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.453 ' HD2' ' N ' ' A' ' 15' ' ' TRP . 1.1 p-80 -66.5 147.33 53.44 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.66 133.78 50.93 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.361 -0.936 . . . . 0.0 108.696 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 p -108.05 139.64 29.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.543 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -136.94 121.77 18.72 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.745 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -110.3 109.89 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -123.23 97.28 5.35 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-O 121.518 0.675 . . . . 0.0 110.421 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.15 82.63 51.49 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.578 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -76.5 152.61 34.14 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 122.355 2.037 . . . . 0.0 110.81 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.73 160.99 53.87 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.726 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -78.51 105.68 9.95 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.85 0.19 54.61 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.716 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.15 89.46 0.25 Allowed Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 m -71.2 -7.8 49.24 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -88.15 -12.53 43.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.05 0.452 . . . . 0.0 110.225 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.7 p -94.74 1.82 55.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.431 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -88.92 -2.37 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.661 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 mp -87.6 103.59 15.7 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.482 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.22 141.54 5.78 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.688 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.7 t -99.69 -76.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.748 0.309 . . . . 0.0 110.402 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 98.2 mt -147.27 -64.51 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.794 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -94.36 -8.6 38.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.622 0.725 . . . . 0.0 109.96 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.02 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.05 -15.82 6.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.028 -1.082 . . . . 0.0 112.64 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -65.22 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.967 0.413 . . . . 0.0 110.744 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.78 144.08 32.38 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.14 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.551 ' CD1' ' HB2' ' A' ' 27' ' ' TYR . 27.8 t80 -110.91 120.39 42.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -107.59 115.29 29.89 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -92.1 107.83 19.49 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.528 HD11 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.37 136.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 -177.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.89 128.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 113.75 3.33 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.863 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.589 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.1 m -152.94 131.75 12.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.08 10.16 0.33 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.597 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 6.4 p30 -137.68 -30.12 0.84 Allowed 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.642 173.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.597 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 47.4 mmm-85 -122.59 100.75 7.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.535 ' CZ2' HD13 ' A' ' 17' ' ' ILE . 87.7 t90 -106.83 128.21 54.07 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -144.31 150.42 22.49 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.522 -174.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.535 HD13 ' CZ2' ' A' ' 15' ' ' TRP . 43.5 mm -116.13 123.2 71.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -109.54 116.1 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.955 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -81.42 106.37 13.33 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -96.0 102.62 14.43 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -73.12 -25.29 60.79 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 120.847 0.356 . . . . 0.0 111.835 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -123.51 110.79 30.09 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.5 105.53 0.1 OUTLIER 'Trans proline' 0 C--O 1.239 0.526 0 C-N-CA 123.239 2.626 . . . . 0.0 114.767 -172.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 p -84.09 -22.83 31.02 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.079 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.0 96.45 0.18 Allowed Glycine 0 N--CA 1.421 -2.358 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -59.52 113.65 2.32 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.878 0.847 . . . . 0.0 111.151 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.551 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 6.4 t80 -91.05 151.0 21.2 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.34 -176.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -62.59 -41.22 98.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -154.11 148.38 25.95 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.231 -0.588 . . . . 0.0 112.172 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.86 -39.58 83.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.984 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.69 -35.65 81.38 Favored 'General case' 0 C--O 1.196 -1.734 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.49 78.82 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.168 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.22 -51.64 43.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.336 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -68.76 -41.75 78.42 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.23 -52.61 64.83 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.832 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.4 -52.54 65.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.583 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -66.78 -36.27 82.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.424 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.51 81.45 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.34 0.59 . . . . 0.0 109.747 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.16 83.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.615 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.88 97.6 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.821 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -60.98 -45.18 95.82 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.771 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.62 -47.32 84.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.73 67.03 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.867 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.78 -44.33 96.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.325 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.93 -34.82 76.78 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.027 0.442 . . . . 0.0 111.62 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 3.7 m-85 -86.84 -4.1 59.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.2 18.83 77.88 Favored Glycine 0 CA--C 1.502 -0.72 0 C-N-CA 119.948 -1.12 . . . . 0.0 112.002 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 3.5 m-70 -64.75 139.83 58.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.45 130.89 48.82 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.558 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.2 t -100.15 126.01 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.512 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -133.15 112.95 12.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -108.65 115.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 t -112.3 97.24 6.5 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-O 122.382 1.087 . . . . 0.0 111.913 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m -103.96 112.61 65.59 Favored Pre-proline 0 C--N 1.304 -1.373 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.077 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.32 136.95 63.98 Favored 'Trans proline' 0 C--O 1.243 0.74 0 C-N-CA 122.833 2.355 . . . . 0.0 114.01 -173.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -140.63 -34.64 0.12 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.148 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -81.34 176.38 9.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -150.44 108.41 3.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.184 0.516 . . . . 0.0 111.534 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -143.14 -52.29 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.584 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.5 p -175.21 -35.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.278 0.561 . . . . 0.0 109.506 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 68.72 34.33 3.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.154 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.2 m -87.77 118.94 27.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.802 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -160.0 -43.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.899 0.381 . . . . 0.0 111.411 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.19 146.78 45.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.173 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.77 158.27 40.74 Favored Glycine 0 C--N 1.321 -0.3 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.765 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.36 130.61 37.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-O 120.986 0.422 . . . . 0.0 111.014 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.6 mp -90.69 114.1 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.4 m -133.63 -24.63 1.74 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.525 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 C--N 1.317 -0.827 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.979 179.387 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.25 -146.35 8.89 Favored Glycine 0 N--CA 1.438 -1.171 0 C-N-CA 120.243 -0.979 . . . . 0.0 113.465 -177.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -66.09 136.36 55.88 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 122.95 0.5 . . . . 0.0 111.867 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.71 82.91 3.97 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 174.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -106.81 140.51 39.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 112.216 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -112.9 114.96 27.69 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -91.85 110.03 21.37 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.749 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 pt -100.52 145.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-O 121.496 0.665 . . . . 0.0 112.045 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.5 m -110.23 136.23 46.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.08 115.53 4.16 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 119.468 -1.349 . . . . 0.0 113.965 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.483 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.5 m -147.67 117.22 7.03 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -71.44 28.22 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.442 ' H ' ' C ' ' A' ' 11' ' ' SER . 47.4 t-20 -137.33 -34.98 0.69 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.0 ttt180 -142.6 112.91 7.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 128.88 56.02 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.323 -174.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.09 146.57 17.55 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.462 -0.875 . . . . 0.0 114.244 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.46 119.33 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -106.7 135.73 47.73 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 120.569 0.223 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.401 ' CE1' ' HB3' ' A' ' 21' ' ' ASP . 56.6 t-80 -80.69 109.63 15.41 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.622 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -90.36 106.68 18.66 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.031 0.443 . . . . 0.0 110.085 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 1.3 p30 -121.09 5.34 10.35 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.189 0.518 . . . . 0.0 111.082 -177.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD1' HG22 ' A' ' 24' ' ' THR . 7.9 p-10 -109.84 167.52 8.99 Favored Pre-proline 0 N--CA 1.435 -1.207 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.156 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -71.5 39.12 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 123.178 2.585 . . . . 0.0 115.069 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.47 HG22 ' OD1' ' A' ' 22' ' ' ASP . 47.4 p -109.5 -38.3 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.37 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.91 89.26 0.84 Allowed Glycine 0 N--CA 1.438 -1.223 0 C-N-CA 120.07 -1.062 . . . . 0.0 113.511 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.31 144.55 29.62 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -152.83 141.85 21.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.249 -175.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -66.55 -40.5 89.08 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -140.68 142.88 34.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.902 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HB3' ' HZ1' ' A' ' 30' ' ' LYS . 8.0 ttpm? -67.34 -37.66 83.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.778 178.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.24 -35.76 81.39 Favored 'General case' 0 C--O 1.191 -1.982 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.49 71.85 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.108 0.255 . . . . 0.0 110.5 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.96 -50.88 53.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.075 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -66.77 -42.1 86.64 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.953 0.406 . . . . 0.0 110.591 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -55.35 -54.58 41.78 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.868 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.6 75.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.505 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.89 84.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.42 -37.89 86.2 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.12 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.95 79.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.606 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.365 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.27 90.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.383 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -61.46 -44.95 96.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.798 0.332 . . . . 0.0 110.186 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -62.77 -42.53 99.73 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -52.08 66.45 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.609 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.06 -42.72 96.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.095 0.474 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.97 -43.25 91.32 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.073 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -88.81 -2.84 58.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.336 -176.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 7.39 66.17 Favored Glycine 0 CA--C 1.505 -0.578 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.501 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -67.36 136.54 54.94 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.4 136.95 58.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.655 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.21 134.21 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.54 117.7 22.57 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.2 mt -102.03 115.1 43.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.2 m -116.48 95.31 4.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-O 121.812 0.815 . . . . 0.0 110.721 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.94 146.36 52.07 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.747 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.89 143.77 23.62 Favored 'Trans proline' 0 C--O 1.239 0.526 0 C-N-CA 122.265 1.977 . . . . 0.0 111.882 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.26 -51.96 0.16 Allowed Glycine 0 CA--C 1.5 -0.85 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.673 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -94.27 170.27 9.63 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.724 0.297 . . . . 0.0 110.344 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -78.85 122.56 26.23 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.216 0.531 . . . . 0.0 111.595 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -120.79 36.27 3.41 Favored Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 110.791 -0.923 . . . . 0.0 110.791 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -81.45 -7.23 59.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 -177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -91.4 12.18 21.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.373 0.606 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 t -146.09 149.8 34.73 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.266 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -103.09 -0.39 30.76 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 52.66 -160.73 0.11 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.904 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.25 166.49 54.34 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.52 136.19 23.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.568 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -90.27 -7.12 10.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.684 0.754 . . . . 0.0 109.715 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.1 p -88.39 157.47 18.69 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.977 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 119.148 -0.453 . . . . 0.0 110.887 -179.791 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.826 0.346 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.1 -145.41 16.95 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.653 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -66.66 136.98 56.36 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.629 0.372 . . . . 0.0 111.214 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.71 101.58 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.28 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -107.51 137.96 44.59 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.201 0.524 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -134.19 127.56 32.22 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.736 175.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.636 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.7 t70 -87.03 108.74 18.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.41 0.624 . . . . 0.0 110.359 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.7 pt -86.86 154.63 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.0 129.24 65.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.21 113.91 3.27 Favored Glycine 0 N--CA 1.431 -1.65 0 C-N-CA 119.589 -1.291 . . . . 0.0 112.743 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.58 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 55.3 m -153.87 144.84 22.73 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.14 -40.47 97.68 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -97.04 -28.64 14.06 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.491 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 11' ' ' SER . 39.4 mmm-85 -122.41 94.47 4.3 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 41' ' ' ALA . 77.1 t90 -107.26 128.32 54.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.38 150.42 22.35 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.572 -1.299 . . . . 0.0 113.683 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.454 HD13 ' CZ3' ' A' ' 15' ' ' TRP . 3.9 mp -103.61 121.46 55.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.636 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 10.7 ttt-85 -115.65 111.13 20.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.106 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -77.37 127.06 31.91 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' CG ' HH12 ' A' ' 18' ' ' ARG . 4.8 t0 -84.48 119.29 24.98 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -84.7 -10.91 56.84 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.395 0.617 . . . . 0.0 110.754 -174.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -129.75 91.06 41.44 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.92 136.58 43.89 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.88 2.386 . . . . 0.0 113.013 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.9 p -76.8 -14.79 59.88 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.837 -177.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.36 -52.27 4.68 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.349 -0.842 . . . . 0.0 112.804 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -83.82 112.31 19.99 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 121.563 0.697 . . . . 0.0 112.174 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 33' ' ' ALA . 10.8 t80 -155.91 132.78 10.51 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 172.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -172.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -162.79 145.96 11.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.11 -0.369 . . . . 0.0 111.328 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.57 -33.21 73.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.019 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.58 -37.83 88.83 Favored 'General case' 0 C--O 1.202 -1.434 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.75 84.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 120.625 0.25 . . . . 0.0 111.094 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . . . -67.63 -55.29 13.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.311 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.22 -43.4 86.77 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.76 -53.07 62.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 123.176 0.297 . . . . 0.0 110.98 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.8 83.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.626 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.74 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.6 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.6 p -66.37 -37.01 84.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.743 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.79 -49.47 76.23 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.731 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.04 82.65 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.585 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.565 ' HB3' ' CH2' ' A' ' 15' ' ' TRP . . . -64.16 -41.57 97.09 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.567 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 65.4 p -63.72 -38.81 92.52 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.808 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -61.91 -47.77 83.43 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.3 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.533 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.98 -51.52 68.92 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.119 -176.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.01 -42.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 120.955 0.407 . . . . 0.0 110.912 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.77 -37.46 84.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.545 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -88.16 -9.05 54.37 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.15 59.14 Favored Glycine 0 CA--C 1.501 -0.836 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.587 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.533 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 57.6 m170 -67.68 142.3 56.4 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.04 130.48 46.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.13 125.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.951 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -125.85 141.82 51.8 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.56 110.4 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -124.34 98.43 5.75 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.624 0.726 . . . . 0.0 110.372 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.8 m -119.78 78.26 22.55 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.737 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -76.13 157.72 37.96 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.537 2.158 . . . . 0.0 112.413 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.76 116.02 2.38 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.11 29.69 9.8 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.735 0.778 . . . . 0.0 109.881 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -136.06 -54.55 0.76 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.08 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.66 9.64 74.63 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.557 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.2 m 63.72 15.35 8.92 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.425 0.29 . . . . 0.0 111.697 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 60.4 41.68 15.74 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.601 0.715 . . . . 0.0 110.158 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 t -82.45 156.22 24.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.369 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -81.69 162.43 23.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.709 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mp -96.25 8.01 45.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.723 -176.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.17 123.11 8.31 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.417 -0.896 . . . . 0.0 111.553 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 m -90.45 105.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.369 0.604 . . . . 0.0 111.598 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.0 mp -86.24 -44.34 16.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.562 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.4 m -92.2 105.25 17.51 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.786 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.442 HD21 ' N ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.419 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.6 mtm . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.79 7.88 21.88 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.939 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -67.25 101.69 0.95 Allowed 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.468 0.651 . . . . 0.0 111.581 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.75 99.82 2.47 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.728 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -101.55 131.3 47.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.247 0.546 . . . . 0.0 111.585 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.64 119.58 39.94 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 15.4 t70 -92.28 108.48 19.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.227 0.537 . . . . 0.0 109.594 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.547 HD11 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -96.15 141.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.861 -177.555 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.1 129.42 75.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.26 112.66 3.22 Favored Glycine 0 N--CA 1.432 -1.626 0 C-N-CA 119.62 -1.276 . . . . 0.0 111.642 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.609 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.8 m -132.65 143.64 49.8 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.598 ' HA ' ' NE2' ' A' ' 49' ' ' HIS . 17.9 m-20 -69.81 -15.77 63.17 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.541 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 19.8 m120 -117.08 -33.09 4.82 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.852 -1.139 . . . . 0.0 111.788 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 11' ' ' SER . 44.9 mmm-85 -137.66 95.75 3.11 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.87 44.95 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.66 145.89 15.96 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.892 -172.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.5 mt -120.75 102.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.4 ptt85 -112.57 138.96 48.59 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.847 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -78.15 115.37 17.83 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -63.73 119.43 9.92 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -91.1 -4.74 56.0 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.511 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -141.97 86.14 10.64 Favored Pre-proline 0 C--N 1.308 -1.239 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 173.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.49 135.09 40.21 Favored 'Trans proline' 0 CA--C 1.51 -0.704 0 C-N-CA 122.758 2.305 . . . . 0.0 113.417 -171.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.3 p -65.64 -31.33 72.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.611 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.64 -27.04 22.26 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.7 -0.682 . . . . 0.0 113.089 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.91 106.99 19.41 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.281 0.562 . . . . 0.0 111.54 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -153.2 128.9 10.1 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.373 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -69.94 -41.78 74.11 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.004 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m 178.57 -177.04 0.24 Allowed 'General case' 0 C--O 1.243 0.743 0 C-N-CA 125.014 1.326 . . . . 0.0 108.733 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.62 -16.25 62.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.096 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.12 -50.57 69.95 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.49 91.33 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -58.91 3.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.0 -52.31 66.31 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.538 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.98 92.86 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.27 70.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -67.46 -36.14 80.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.563 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.36 -48.73 79.94 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.321 0.581 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.55 84.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.04 93.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.124 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -62.05 -42.2 98.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.41 -45.13 92.41 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.259 0.552 . . . . 0.0 110.298 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.46 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . . . -61.81 -50.67 71.4 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.751 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.65 -43.25 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.7 -38.98 89.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.763 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 10.8 t80 -83.84 -4.32 58.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.096 0.474 . . . . 0.0 111.326 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.22 23.43 56.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.598 ' NE2' ' HA ' ' A' ' 12' ' ' ASP . 1.3 m-70 -65.74 129.57 40.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.25 144.38 55.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -112.11 139.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-O 121.475 0.655 . . . . 0.0 111.09 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.39 113.94 18.85 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.8 tp -105.07 110.65 31.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.357 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -118.25 94.6 4.55 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-O 121.562 0.696 . . . . 0.0 111.257 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.8 90.2 46.21 Favored Pre-proline 0 C--N 1.305 -1.336 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.532 173.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.08 145.35 73.0 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.863 2.376 . . . . 0.0 112.537 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.33 -53.5 0.19 Allowed Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -89.08 163.4 15.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.22 78.32 9.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.927 0.394 . . . . 0.0 111.331 -176.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.4 11.21 46.43 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.668 -0.697 . . . . 0.0 113.552 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 m 63.39 73.12 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.351 0.596 . . . . 0.0 111.301 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 67.06 21.22 10.24 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.302 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.6 p -92.22 -8.39 45.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.507 0.67 . . . . 0.0 109.929 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -89.99 120.89 31.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.751 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.23 132.72 43.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.999 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.16 167.53 42.99 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.61 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 p -90.66 117.51 34.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.163 0.506 . . . . 0.0 110.237 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.79 106.63 16.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-O 121.529 0.68 . . . . 0.0 110.483 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.1 t -97.5 148.62 23.05 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.569 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.417 -179.514 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.2 ttm . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.41 31.08 57.51 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.725 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -65.66 142.46 58.03 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.355 0.262 . . . . 0.0 110.381 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.58 92.73 5.36 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.405 0.622 . . . . 0.0 110.053 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -116.17 127.59 54.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.224 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -100.23 115.86 30.88 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 33.7 t70 -93.34 107.07 18.96 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.499 HD11 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -82.02 155.09 4.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.693 -175.485 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.07 132.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.15 111.52 3.37 Favored Glycine 0 CA--C 1.491 -1.445 0 C-N-CA 118.474 -1.822 . . . . 0.0 113.231 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 60.0 m -156.92 124.98 5.55 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 113.886 -1.157 . . . . 0.0 108.187 178.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.77 -40.38 79.73 Favored 'General case' 0 C--O 1.185 -2.341 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.51 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 27.9 p-10 -91.44 -16.98 26.49 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.499 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.4 ttt180 -140.0 97.9 3.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.502 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 30.3 t-105 -103.03 131.2 50.18 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.582 -0.847 . . . . 0.0 112.51 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.13 132.88 9.59 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.778 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.8 mt -108.72 113.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 68.9 ttp85 -114.24 130.42 56.63 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.883 0.373 . . . . 0.0 111.291 -176.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -80.81 119.53 23.51 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -86.29 101.44 13.07 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.46 -4.98 59.01 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.188 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -124.98 84.19 59.25 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -48.66 120.06 4.87 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.703 2.269 . . . . 0.0 112.883 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.9 p -77.59 -18.18 57.1 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.509 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.36 -31.01 7.07 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.883 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -94.83 108.37 20.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.283 0.563 . . . . 0.0 111.391 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -152.21 138.92 18.8 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.646 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -64.33 -41.06 96.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.399 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.9 t 174.39 157.74 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.32 -49.71 75.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 110.642 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.13 -35.65 80.2 Favored 'General case' 0 C--O 1.195 -1.798 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.01 89.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.13 -51.19 48.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.282 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -65.38 -42.26 92.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.718 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -57.09 -54.08 50.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.43 84.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.442 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.84 84.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.388 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.74 -37.05 83.87 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.691 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.7 75.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.123 0.487 . . . . 0.0 110.488 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.87 89.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.932 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.25 96.18 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 t -63.1 -41.56 99.4 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.489 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 8.2 t30 -60.36 -46.51 89.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.424 ' CA ' ' HB2' ' A' ' 49' ' ' HIS . . . -61.62 -51.33 68.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.01 -41.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.99 -39.84 75.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.489 ' HD1' ' O ' ' A' ' 43' ' ' ASN . 50.2 m-85 -87.54 -8.99 55.66 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.84 68.17 Favored Glycine 0 C--N 1.313 -0.705 0 C-N-CA 120.15 -1.024 . . . . 0.0 111.587 -176.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CD2' ' HA ' ' A' ' 13' ' ' ASN . 39.3 m170 -64.95 126.22 27.33 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.437 ' CG ' ' HG3' ' A' ' 14' ' ' ARG . 11.5 pt-20 -61.47 130.44 46.05 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.256 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.4 p -124.29 130.52 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 121.505 0.669 . . . . 0.0 111.074 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 52' ' ' ARG . 6.3 mmt180 -116.67 135.38 53.83 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.278 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.53 112.31 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 p -119.66 97.45 5.64 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-O 121.945 0.879 . . . . 0.0 111.312 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -119.82 98.18 49.58 Favored Pre-proline 0 C--N 1.308 -1.224 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.344 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.88 161.85 35.63 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.593 2.195 . . . . 0.0 112.045 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.45 -131.76 1.9 Allowed Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.891 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -74.96 -0.86 20.14 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.442 0.639 . . . . 0.0 110.821 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -93.25 3.43 55.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.737 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.3 92.22 1.28 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.276 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 p -87.8 -10.33 51.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.883 0.373 . . . . 0.0 111.49 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -89.24 -18.5 26.91 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.162 0.506 . . . . 0.0 110.536 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.5 p -87.61 169.54 12.07 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.175 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -68.85 139.92 55.2 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.037 0.446 . . . . 0.0 111.171 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.8 mt -91.35 -9.24 45.59 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.967 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.57 54.09 4.92 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.214 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.3 t -87.68 126.53 41.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.83 108.42 19.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.218 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.1 t -98.0 96.16 7.97 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.888 0.852 . . . . 0.0 109.436 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.615 -177.398 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 ttm . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.47 70.44 1.27 Allowed Glycine 0 C--O 1.238 0.373 0 C-N-CA 120.438 -0.886 . . . . 0.0 112.532 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -66.35 124.24 22.17 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.32 95.05 2.48 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.587 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -101.69 131.74 47.78 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.106 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -104.22 116.41 32.13 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.065 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.7 109.32 20.31 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.237 0.541 . . . . 0.0 110.067 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -96.71 141.94 14.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.279 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.37 128.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 114.65 3.55 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 119.876 -1.154 . . . . 0.0 113.809 -175.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 50.1 m -150.59 138.24 19.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.96 -7.8 43.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.422 HD21 ' C ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -109.25 -31.82 7.43 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.217 176.732 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 11' ' ' SER . 47.0 mmm-85 -132.38 116.72 17.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.058 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 41' ' ' ALA . 36.6 t90 -124.68 127.89 47.99 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.42 150.23 22.45 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 119.562 -1.304 . . . . 0.0 113.767 -175.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.486 HD11 ' CH2' ' A' ' 15' ' ' TRP . 41.4 mm -105.71 115.24 47.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 122.996 0.518 . . . . 0.0 109.839 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -106.64 116.01 31.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.029 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -74.84 108.88 7.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -82.5 98.74 9.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.642 -178.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.99 -7.44 59.67 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.047 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -127.66 87.39 56.09 Favored Pre-proline 0 C--N 1.309 -1.154 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.52 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -36.52 105.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 124.307 3.338 . . . . 0.0 115.159 -173.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.3 p -101.63 -30.93 11.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.484 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.19 105.44 0.63 Allowed Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.339 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.43 107.94 13.65 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.942 0.877 . . . . 0.0 110.091 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -91.01 147.95 22.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.608 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -66.82 -41.17 87.92 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -137.78 140.99 40.9 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.597 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 54.5 tttp -69.32 -38.84 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.092 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.41 -34.31 77.88 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.6 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.25 90.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.73 0.3 . . . . 0.0 111.035 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -52.57 31.19 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.037 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -63.97 -44.16 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.63 -49.02 79.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.023 0.439 . . . . 0.0 110.75 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.74 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.716 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.4 70.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.129 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.93 -36.22 82.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.07 0.462 . . . . 0.0 110.253 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.46 77.23 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.335 0.588 . . . . 0.0 110.44 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.88 85.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.474 176.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.6 ' HB3' ' CH2' ' A' ' 15' ' ' TRP . . . -61.41 -38.1 85.9 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.216 177.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.2 m -60.6 -45.24 94.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -43.89 97.56 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.195 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.75 71.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.995 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.7 mm -62.49 -43.61 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.097 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.59 -32.81 71.9 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.515 0.674 . . . . 0.0 110.47 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.433 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-85 -86.14 -9.24 57.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.13 17.7 77.79 Favored Glycine 0 CA--C 1.5 -0.868 0 C-N-CA 120.222 -0.989 . . . . 0.0 111.259 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 5.6 m-70 -66.05 140.17 58.24 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.58 122.39 14.56 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 123.473 0.483 . . . . 0.0 110.281 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 75.0 t -115.69 129.47 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -126.86 126.74 43.83 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -107.32 115.79 49.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.4 m -108.89 98.07 7.61 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.086 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.6 p -143.12 93.55 6.52 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.456 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.23 136.73 4.95 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 122.401 2.067 . . . . 0.0 111.492 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.32 125.78 2.22 Favored Glycine 0 N--CA 1.428 -1.886 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -90.46 142.89 27.28 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.0 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 67.66 39.6 2.71 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.926 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.78 -12.44 71.82 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.782 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.4 m 65.89 14.81 9.78 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.213 0.53 . . . . 0.0 111.513 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -87.14 -6.89 58.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.459 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.8 p -91.54 126.63 36.69 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.596 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -96.2 -20.02 18.9 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.536 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.8 mt 60.98 -168.56 0.17 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.185 0.517 . . . . 0.0 111.868 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.84 173.41 33.46 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.929 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.0 m -89.09 136.53 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.829 0.347 . . . . 0.0 111.672 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.5 mm -87.14 110.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 p -107.29 -8.42 16.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.074 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.193 179.817 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 tpp . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 120.534 0.207 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.43 127.54 8.41 Favored Glycine 0 N--CA 1.436 -1.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.614 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -68.59 141.13 55.53 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 120.657 0.265 . . . . 0.0 111.157 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.94 82.43 1.87 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.299 0.571 . . . . 0.0 109.859 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -112.43 139.52 47.92 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.455 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.548 ' HH ' ' HA ' ' A' ' 34' ' ' PHE . 25.7 p90 -137.45 123.78 20.65 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.431 0.634 . . . . 0.0 110.122 176.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.518 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 8.6 t0 -88.8 112.91 23.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.564 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.523 HD11 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.36 155.17 3.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-O 121.542 0.687 . . . . 0.0 112.578 -175.09 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.0 129.94 59.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.396 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.78 113.95 3.47 Favored Glycine 0 N--CA 1.433 -1.544 0 C-N-CA 119.788 -1.196 . . . . 0.0 112.985 -176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.62 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.2 m -151.26 136.77 17.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.582 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 4.0 m-20 -70.33 -11.95 61.25 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -176.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -103.91 -32.06 9.46 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.822 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' A' ' 11' ' ' SER . 35.2 ttt180 -141.9 122.1 13.87 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 34.6 t90 -115.04 127.36 55.59 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.35 137.3 12.49 Favored Glycine 0 CA--C 1.503 -0.68 0 C-N-CA 120.606 -0.807 . . . . 0.0 114.114 -172.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mt -109.06 108.18 24.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -115.26 112.89 23.13 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 111.297 -177.206 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 56' ' ' PRO . 27.6 t60 -75.65 132.96 40.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.509 ' CG ' HH12 ' A' ' 18' ' ' ARG . 17.1 t0 -83.38 94.96 8.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.08 0.467 . . . . 0.0 110.49 -176.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.555 ' OD1' ' HA ' ' A' ' 58' ' ' ASN . 17.7 t70 -71.94 -40.38 68.75 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.312 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 19.4 t70 -111.19 98.64 40.3 Favored Pre-proline 0 C--N 1.313 -1.022 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 22' ' ' ASP . 5.0 Cg_exo -39.53 120.56 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 124.274 3.316 . . . . 0.0 114.696 -172.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 p -78.49 -18.24 55.11 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.122 174.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.1 -44.53 3.22 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.954 -1.021 . . . . 0.0 113.727 174.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.19 122.43 28.38 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -152.35 129.47 11.14 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.305 -0.862 . . . . 0.0 108.908 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -65.69 -41.92 91.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.683 0.278 . . . . 0.0 111.526 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -173.74 154.47 2.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.175 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 62.6 tttp -63.46 -49.03 75.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.09 -35.59 80.13 Favored 'General case' 0 C--O 1.192 -1.962 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.355 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.72 97.84 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -49.72 57.23 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' HA ' ' HH ' ' A' ' 6' ' ' TYR . 72.5 m-85 -64.59 -46.58 82.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.345 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.54 -54.91 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.673 0.273 . . . . 0.0 111.339 -177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.28 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.43 81.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -66.07 -35.55 80.83 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.724 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.09 77.77 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.324 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.2 86.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.622 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.86 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.006 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -61.25 -45.64 93.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -62.95 -40.58 98.11 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.38 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.569 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -58.75 -52.13 67.0 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.917 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -69.63 -37.55 74.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.027 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -61.19 -45.09 96.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.566 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.679 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 46.6 t80 -86.61 -2.06 58.18 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.831 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.06 30.08 48.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.767 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.679 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 22.3 m170 -66.08 133.85 51.6 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 39.1 tt0 -63.55 117.59 6.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.424 -0.91 . . . . 0.0 108.64 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 57.6 t -97.68 120.76 47.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 pt -105.01 115.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 CA-C-O 121.44 0.638 . . . . 0.0 110.726 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.0 m -123.01 94.65 4.33 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-O 121.669 0.747 . . . . 0.0 109.118 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.78 90.38 50.68 Favored Pre-proline 0 C--N 1.31 -1.116 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.434 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.416 ' HG2' ' HB2' ' A' ' 21' ' ' ASP . 95.1 Cg_endo -80.57 148.15 18.02 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.155 1.903 . . . . 0.0 111.076 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.83 158.49 29.52 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.285 -0.96 . . . . 0.0 111.089 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.555 ' HA ' ' OD1' ' A' ' 21' ' ' ASP . 12.3 m120 -67.91 108.23 2.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.998 0.428 . . . . 0.0 110.352 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -84.88 152.84 23.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.825 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.66 -22.04 65.64 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.346 -0.454 . . . . 0.0 112.348 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.4 m 61.11 22.09 12.42 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.014 0.526 . . . . 0.0 111.846 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 67.69 3.06 3.26 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.473 0.709 . . . . 0.0 111.924 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.8 p -88.92 162.17 16.25 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.756 0.312 . . . . 0.0 111.188 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -85.4 109.85 18.73 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.2 mt -98.63 11.6 37.95 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.276 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.8 139.99 48.03 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.328 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.8 m -86.81 94.33 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.446 0.641 . . . . 0.0 112.421 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.75 -36.62 8.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 m -92.85 129.76 38.67 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.617 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.313 -0.989 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.513 -178.643 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.2 mtm . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.64 101.93 2.18 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.604 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -66.1 148.55 51.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.719 0.295 . . . . 0.0 111.273 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.76 106.18 4.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -106.37 131.0 54.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.432 ' OH ' ' HA ' ' A' ' 34' ' ' PHE . 34.0 p90 -115.74 129.82 56.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.9 108.28 19.61 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.315 0.579 . . . . 0.0 110.49 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -84.76 153.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.491 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -115.27 129.54 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.08 114.7 3.62 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 119.607 -1.283 . . . . 0.0 114.206 -174.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.578 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.1 m -155.28 143.61 20.28 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.76 -23.13 64.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -103.13 -29.5 11.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.992 0.425 . . . . 0.0 111.433 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 11' ' ' SER . 49.1 mmm-85 -135.63 100.01 4.36 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.503 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 5.4 t90 -107.1 126.05 51.86 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.72 137.45 12.46 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.368 -173.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.7 mt -109.03 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -108.45 127.41 53.89 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.801 -177.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.419 ' HB2' HG13 ' A' ' 55' ' ' VAL . 48.4 t-80 -81.97 120.28 25.03 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.663 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -80.58 109.05 14.73 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -63.54 -34.35 77.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.191 -173.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -134.21 122.75 16.29 Favored Pre-proline 0 C--N 1.311 -1.094 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.29 108.07 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.408 2.739 . . . . 0.0 114.51 -172.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 t -106.83 -27.4 10.76 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.5 99.57 1.77 Allowed Glycine 0 N--CA 1.431 -1.673 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.35 147.38 53.02 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.72 133.25 26.83 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.367 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -66.37 -39.41 89.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.677 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -153.72 149.0 27.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.783 0.325 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -63.88 -30.5 71.58 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.5 -38.97 89.27 Favored 'General case' 0 C--O 1.197 -1.697 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.135 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.88 85.7 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.625 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.53 -57.86 3.83 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.314 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.432 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 68.2 m-85 -62.06 -45.73 92.26 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.521 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.11 -53.73 55.07 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.987 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.019 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.74 80.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.802 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.3 p -66.11 -35.29 80.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.06 83.55 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.156 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.417 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.2 93.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.8 m -61.9 -46.01 91.22 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.916 0.389 . . . . 0.0 110.289 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.43 -43.37 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.07 -49.98 73.79 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.87 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 tt -66.65 -31.28 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.232 0.539 . . . . 0.0 110.263 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.94 -36.86 82.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.314 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -86.15 -6.9 58.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.217 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.87 39.5 11.75 Favored Glycine 0 CA--C 1.503 -0.695 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.262 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.503 ' CD2' ' HB3' ' A' ' 15' ' ' TRP . 12.5 p-80 -67.94 141.18 56.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.614 0.245 . . . . 0.0 110.567 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.57 127.75 33.57 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.1 p -94.44 133.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.397 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.01 118.32 24.23 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -106.6 114.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -117.57 94.88 4.71 Favored 'General case' 0 N--CA 1.425 -1.702 0 CA-C-O 121.62 0.724 . . . . 0.0 110.273 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG13 ' HB2' ' A' ' 19' ' ' HIS . 10.6 m -124.14 83.09 56.38 Favored Pre-proline 0 C--N 1.312 -1.065 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.868 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.91 145.28 44.99 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.173 1.915 . . . . 0.0 112.345 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.7 -149.84 9.22 Favored Glycine 0 N--CA 1.437 -1.271 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.43 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -88.52 92.6 9.25 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.317 0.579 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -94.16 -8.17 40.21 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.702 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.47 -52.86 0.19 Allowed Glycine 0 N--CA 1.44 -1.035 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -178.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 m -73.77 117.01 15.04 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.06 125.4 25.88 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.37 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.3 p -85.05 164.2 18.38 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.869 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -80.41 87.11 5.66 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.523 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.4 mt 57.39 -86.87 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.533 -1.212 . . . . 0.0 113.21 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.75 -61.49 4.68 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.063 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.87 132.02 38.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 120.838 0.352 . . . . 0.0 110.134 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.3 mt -90.62 114.98 29.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.1 t -94.35 97.78 10.45 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.688 0.756 . . . . 0.0 111.032 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 . . . . . 0 C--N 1.313 -0.982 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.874 179.231 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.58 95.8 1.61 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.216 -0.993 . . . . 0.0 111.986 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.86 144.78 54.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.645 0.26 . . . . 0.0 110.693 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.07 100.31 13.16 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -101.59 120.98 41.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.532 0.682 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -108.01 116.46 32.0 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -92.1 108.04 19.65 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -99.57 142.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.052 -176.148 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.1 m -113.08 135.22 53.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.006 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.26 115.9 3.79 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 119.798 -1.191 . . . . 0.0 114.183 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.606 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 30.3 t -148.58 137.24 21.42 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.98 -2.96 17.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.623 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.41 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.0 -31.88 3.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.329 177.07 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.606 ' O ' ' HB3' ' A' ' 11' ' ' SER . 27.1 mmm-85 -128.66 95.39 4.1 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.54 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.405 ' CZ3' HD12 ' A' ' 17' ' ' ILE . 81.8 t90 -103.65 129.37 50.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.47 148.51 20.2 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.739 -1.22 . . . . 0.0 114.14 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.405 HD12 ' CZ3' ' A' ' 15' ' ' TRP . 3.0 mp -107.56 118.24 54.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -115.54 113.25 23.38 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.859 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -82.09 104.95 12.8 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.85 137.39 47.48 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -97.0 -1.48 45.44 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -173.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -140.41 148.21 52.81 Favored Pre-proline 0 C--N 1.321 -0.65 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.742 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.52 120.25 8.03 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.396 2.064 . . . . 0.0 112.003 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -78.73 -15.94 57.84 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.432 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.26 -60.64 4.68 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.39 132.17 35.22 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.433 -0.384 . . . . 0.0 110.65 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -156.02 133.36 10.81 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 29' ' ' SER . 15.8 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.256 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 28' ' ' SER . 22.7 t 172.07 146.49 0.04 OUTLIER 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.29 -45.3 88.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 110.505 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -65.68 -36.15 82.81 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.78 87.76 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 120.829 0.347 . . . . 0.0 110.629 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.63 39.79 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.327 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -67.08 -41.26 86.63 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.2 -54.65 44.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.009 0.433 . . . . 0.0 110.509 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.58 93.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.206 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.21 -50.54 73.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.129 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.61 -37.33 82.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.855 0.359 . . . . 0.0 111.212 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.0 77.7 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.353 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.76 88.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.58 94.36 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.642 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 m -61.03 -49.51 77.11 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.802 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -64.73 -42.55 95.13 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.574 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.51 -51.84 67.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 111.34 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mm -65.2 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.362 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -58.64 -39.54 80.84 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.241 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -86.6 -17.59 33.54 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.636 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 23.34 30.47 Favored Glycine 0 C--N 1.316 -0.568 0 C-N-CA 119.862 -1.161 . . . . 0.0 111.184 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.574 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 63.7 m170 -65.65 137.63 57.46 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.69 138.95 57.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.064 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.96 134.88 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.289 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -118.91 134.41 55.19 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -125.51 117.47 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -130.74 95.01 3.74 Favored 'General case' 0 N--CA 1.417 -2.103 0 CA-C-O 121.887 0.851 . . . . 0.0 110.941 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t -134.22 93.25 19.83 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.385 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.98 170.11 15.6 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 123.389 2.726 . . . . 0.0 111.991 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.63 142.91 19.68 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -68.99 122.44 18.68 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.346 0.593 . . . . 0.0 111.025 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -100.13 -26.06 14.07 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.886 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' A' ' 62' ' ' GLU . . . -100.64 106.61 3.14 Favored Glycine 0 N--CA 1.433 -1.504 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.825 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 t -77.06 24.77 0.16 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.178 0.513 . . . . 0.0 110.658 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 60' ' ' GLY . 48.7 mt-10 -93.06 -21.09 19.93 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.217 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.9 m -86.52 -45.6 10.94 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.367 0.603 . . . . 0.0 109.494 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -102.88 104.71 14.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.392 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 HD23 ' H ' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -90.94 -12.93 34.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.346 -178.074 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.82 105.24 0.19 Allowed Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.035 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.2 p -150.97 119.15 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-O 120.84 0.352 . . . . 0.0 110.671 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 98.6 mt -86.71 114.59 26.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 t -94.81 119.4 33.33 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-O 121.627 0.727 . . . . 0.0 110.74 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.306 -1.312 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.065 -178.664 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 tpp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.657 0.265 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.06 -47.47 3.14 Favored Glycine 0 C--O 1.24 0.469 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.765 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -66.99 104.45 1.39 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.201 0.524 . . . . 0.0 111.587 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.76 100.83 2.57 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -102.8 133.44 47.85 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.702 . . . . 0.0 112.444 -174.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -122.32 116.8 24.69 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.19 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -92.55 107.03 18.91 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -92.63 145.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.045 -174.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 m -111.45 130.95 64.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 173.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.57 112.63 3.04 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 119.657 -1.259 . . . . 0.0 113.171 -175.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -153.54 142.73 21.42 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 176.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.687 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 7.6 p-10 -71.57 -7.96 50.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.943 0.401 . . . . 0.0 111.778 -178.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.488 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 3.7 p30 -112.89 -30.59 6.99 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.724 178.178 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 55.7 mmm-85 -129.4 111.4 12.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.435 ' CZ2' HD13 ' A' ' 17' ' ' ILE . 68.7 t90 -116.84 132.98 56.56 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.67 132.25 4.67 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 119.428 -1.367 . . . . 0.0 115.992 -173.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.435 HD13 ' CZ2' ' A' ' 15' ' ' TRP . 50.5 mm -104.65 105.85 19.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.102 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 18' ' ' ARG . 20.6 ttp85 -115.94 116.82 28.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.653 0.263 . . . . 0.0 110.946 -176.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -82.48 92.75 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.065 0.46 . . . . 0.0 112.027 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.477 ' HB3' ' CD ' ' A' ' 23' ' ' PRO . 1.8 m-20 -87.46 121.76 30.31 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.831 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.18 -53.05 55.4 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.678 -175.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.618 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 3.0 p30 -176.64 48.08 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.582 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.618 ' HD3' ' N ' ' A' ' 22' ' ' ASP . 1.9 Cg_endo -79.19 -6.98 15.09 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.063 1.842 . . . . 0.0 109.989 177.402 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.446 ' C ' ' H ' ' A' ' 26' ' ' ASP . 73.0 p -98.37 -17.23 18.96 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.799 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.18 -28.41 1.69 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.559 -1.2 . . . . 0.0 112.458 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 24' ' ' THR . 2.7 p-10 -142.39 169.91 16.69 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-O 120.895 0.378 . . . . 0.0 111.157 -175.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -150.16 148.25 28.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.275 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -66.58 -42.4 87.04 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p 176.4 150.7 0.14 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.547 0.339 . . . . 0.0 110.487 178.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.724 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.71 -37.27 84.36 Favored 'General case' 0 C--O 1.198 -1.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -35.1 78.57 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.43 -53.2 25.18 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.298 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -68.03 -43.7 78.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.83 -53.98 52.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.887 0.375 . . . . 0.0 110.734 -178.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.093 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.75 76.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.3 m -66.85 -36.89 83.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.028 0.442 . . . . 0.0 110.626 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.42 80.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.51 78.02 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.166 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.66 89.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.764 178.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -61.86 -46.2 90.5 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 178.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.21 -39.04 93.16 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.187 177.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.752 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -58.37 -52.11 66.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.628 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -67.27 -40.78 85.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.253 0.549 . . . . 0.0 109.788 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 ttmt -57.52 -44.97 85.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.083 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.663 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 44.3 t80 -92.68 -6.1 49.97 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -175.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.9 32.59 23.48 Favored Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 119.808 -1.187 . . . . 0.0 111.987 -178.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.752 ' CG ' ' HA ' ' A' ' 44' ' ' ALA . 23.5 m170 -66.51 140.99 58.03 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.518 179.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.74 123.28 18.01 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.197 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.63 125.5 48.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.218 0.533 . . . . 0.0 111.766 -175.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -130.89 130.86 44.07 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.272 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mp -125.82 116.9 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -126.11 97.04 4.93 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.757 0.789 . . . . 0.0 111.886 -178.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 16.8 m -119.22 124.76 27.99 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.199 177.531 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 55' ' ' VAL . 19.2 Cg_exo -66.36 145.41 77.43 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.702 2.268 . . . . 0.0 112.444 178.272 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -135.26 30.67 2.78 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.053 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -101.35 -11.62 19.27 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -178.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -91.38 121.92 33.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.472 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 138.12 -3.73 3.1 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -176.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.1 m -79.01 -5.22 53.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.994 0.426 . . . . 0.0 110.375 178.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -136.17 97.2 3.54 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-O 121.371 0.605 . . . . 0.0 110.398 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.7 m -79.02 92.43 4.98 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.45 178.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -115.69 3.64 13.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.576 177.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.93 149.02 48.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.812 -177.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.47 147.82 49.11 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.25 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 t -88.66 125.25 41.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.9 tt -89.09 -8.3 10.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.382 0.611 . . . . 0.0 110.654 -179.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.8 t -101.56 132.0 47.45 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.96 178.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.332 -179.599 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.66 0 CA-C-O 121.0 0.428 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -107.59 125.03 50.81 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.922 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.06 128.38 55.85 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.714 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -87.84 108.67 19.27 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.535 HG22 HD12 ' A' ' 17' ' ' ILE . 29.6 pt -100.1 142.38 15.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.388 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -110.63 134.33 53.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.54 113.56 3.55 Favored Glycine 0 N--CA 1.426 -2.01 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.334 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 69.5 m -155.46 127.3 7.49 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.511 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 9.9 p-10 -69.88 -8.41 48.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.503 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 20.3 m120 -109.73 -30.54 7.82 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.682 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.3 mmm-85 -138.32 96.51 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 89.6 t90 -101.76 131.26 48.15 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.15 149.93 21.9 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 118.979 -1.581 . . . . 0.0 113.799 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.535 HD12 HG22 ' A' ' 8' ' ' ILE . 48.0 mm -115.44 122.84 70.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 122.381 0.272 . . . . 0.0 110.324 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 54' ' ' THR . 63.7 ttp85 -112.42 120.2 40.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.356 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.566 ' HB2' HG12 ' A' ' 55' ' ' VAL . 30.2 t-80 -74.81 117.19 16.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 t0 . . . . . 0 N--CA 1.443 -0.777 0 O-C-N 123.993 0.808 . . . . 0.0 109.366 -178.716 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 p90 . . . . . 0 CA--C 1.507 -0.689 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 m -65.55 -40.65 93.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 t -171.77 158.87 5.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.735 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.54 -45.93 88.33 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.86 -36.81 83.17 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.072 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.74 85.94 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.16 -51.72 35.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -64.79 -44.23 90.62 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -58.09 -53.61 56.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.919 0.39 . . . . 0.0 110.706 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.69 92.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.76 72.28 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.628 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.68 -38.0 85.91 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.87 0.366 . . . . 0.0 111.014 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.88 83.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.608 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.12 86.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.41 95.06 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -61.22 -45.88 92.75 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.03 0.443 . . . . 0.0 110.162 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -63.53 -40.81 97.99 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.682 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -58.64 -52.84 63.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.254 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.11 -37.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-O 121.26 0.553 . . . . 0.0 110.006 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.705 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 20.2 t80 -92.14 -3.21 55.96 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.18 22.03 53.22 Favored Glycine 0 N--CA 1.464 0.514 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.825 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 41.3 m170 -66.05 135.24 54.37 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.26 132.96 55.58 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -104.02 120.1 53.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -116.92 118.23 31.88 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.51 110.96 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 34.4 m -127.74 92.99 3.59 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.593 0.711 . . . . 0.0 109.388 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 19' ' ' HIS . 30.9 m . . . . . 0 C--N 1.306 -1.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.228 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 27' ' ' TYR . 86.8 t80 -128.43 132.99 48.46 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.12 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 44.5 p90 -135.61 122.21 20.82 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.735 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.2 t0 -86.64 126.4 34.5 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.542 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.0 pt -102.18 154.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -123.74 129.4 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.831 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.52 114.79 2.33 Favored Glycine 0 N--CA 1.441 -1.028 0 C-N-CA 119.413 -1.375 . . . . 0.0 114.216 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.558 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 47.2 m -124.45 148.83 47.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.74 -9.78 58.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -113.82 -29.36 7.1 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 11' ' ' SER . 34.8 ttt180 -135.65 122.17 20.72 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.404 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 70.8 t90 -123.61 129.22 50.82 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.827 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -142.9 147.2 18.54 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 119.956 -1.116 . . . . 0.0 114.011 -175.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.404 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 49.7 mm -103.93 117.47 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.735 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 1.3 ttt-85 -109.67 104.58 13.6 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.887 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -81.68 129.37 34.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.724 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' CG ' HH12 ' A' ' 18' ' ' ARG . 2.8 m-20 . . . . . 0 N--CA 1.446 -0.642 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.557 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 44.3 p90 . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -69.15 -40.85 77.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.513 0.673 . . . . 0.0 109.652 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.1 t -167.72 142.31 3.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.981 -1.008 . . . . 0.0 108.826 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 28.2 ttpp -65.86 -43.58 87.97 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.21 -35.37 80.26 Favored 'General case' 0 C--O 1.194 -1.865 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.514 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.68 83.44 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 123.221 0.326 . . . . 0.0 110.926 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.84 61.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 91.8 m-85 -65.45 -40.69 93.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 111.127 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.63 -54.9 40.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.105 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.75 85.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.29 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.349 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -67.87 -36.42 80.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.292 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.58 96.89 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.135 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.95 85.05 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.6 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.28 99.12 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.433 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 p -62.78 -45.92 90.42 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.671 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -63.06 -41.09 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 0.0 109.805 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -59.89 -52.28 66.12 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.966 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -69.78 -40.22 78.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.502 -178.389 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.73 -41.29 99.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.646 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 31.4 t80 -86.92 -5.81 58.98 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 30.92 35.98 Favored Glycine 0 CA--C 1.502 -0.739 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.646 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 33.7 m170 -65.54 143.02 57.91 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.89 118.95 7.9 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.1 126.86 49.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.445 0.64 . . . . 0.0 111.62 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 69.6 mmt-85 -128.36 134.34 48.84 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.393 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.3 mm -126.26 117.21 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 p -123.99 98.66 5.89 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.392 0.615 . . . . 0.0 111.294 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 C--N 1.314 -0.943 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.217 178.021 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.525 0.202 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -118.18 126.23 51.79 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.649 0.738 . . . . 0.0 111.78 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.471 ' HE1' ' CE2' ' A' ' 34' ' ' PHE . 46.8 p90 -118.71 136.16 54.09 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.577 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -90.53 115.19 27.48 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.372 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.672 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.19 143.99 10.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.972 -178.008 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.02 131.84 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.17 114.89 3.79 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.532 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.66 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.9 m -153.29 129.16 10.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.97 -10.24 57.91 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -107.1 -29.13 9.57 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.199 -1.0 . . . . 0.0 110.122 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.66 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.0 mmm-85 -136.89 100.27 4.26 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.48 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.703 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 31.3 t90 -101.81 126.37 48.67 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.261 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.38 141.44 12.75 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.476 -0.868 . . . . 0.0 113.326 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.678 HD11 ' CZ3' ' A' ' 15' ' ' TRP . 21.0 mt -115.06 124.26 71.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 54' ' ' THR . 66.0 ttp85 -120.46 120.39 35.78 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.24 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -75.42 123.48 25.48 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 12.7 t0 . . . . . 0 CA--C 1.506 -0.744 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.984 -173.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.8 p90 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -68.85 -41.22 78.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.817 0.342 . . . . 0.0 111.281 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -171.44 151.73 3.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.576 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -65.06 -42.78 93.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.78 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.44 -36.53 83.03 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.662 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.44 81.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 120.624 0.25 . . . . 0.0 110.665 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.25 5.37 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.471 ' CE2' ' HE1' ' A' ' 6' ' ' TYR . 85.5 m-85 -63.99 -46.77 83.11 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.96 -53.96 52.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 -177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.08 85.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.862 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.76 68.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.809 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.42 -36.11 82.0 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.52 75.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.059 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.723 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.703 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -62.62 -37.73 87.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.002 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 m -61.26 -46.19 91.41 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.987 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.36 -44.11 95.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.849 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.25 -51.06 71.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.938 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -68.84 -38.11 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 0.0 111.254 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.14 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -87.62 -6.05 58.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.97 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.05 20.77 79.16 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.857 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.439 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 60.7 m170 -65.52 137.08 57.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.15 126.43 27.49 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.261 -0.575 . . . . 0.0 109.716 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 17.7 m -109.81 127.42 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.353 0.597 . . . . 0.0 110.1 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.429 ' NH1' ' HA ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -114.69 115.94 27.9 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.94 109.86 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 27.1 m -119.05 96.36 5.2 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 121.644 0.735 . . . . 0.0 109.547 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.306 -1.323 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.029 178.924 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -107.99 137.69 45.55 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.043 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -123.28 125.12 44.46 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.65 110.66 21.82 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.446 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 pt -88.53 151.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.864 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -113.8 130.79 67.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 176.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.89 113.95 3.75 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 119.459 -1.353 . . . . 0.0 112.017 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.605 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 73.2 m -151.44 138.87 19.47 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.559 -0.32 . . . . 0.0 110.659 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.468 ' HA ' ' NE2' ' A' ' 49' ' ' HIS . 10.6 m-20 -70.21 -22.98 62.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -112.72 -32.85 6.29 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.13 -1.028 . . . . 0.0 113.003 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 11' ' ' SER . 51.8 mmm-85 -127.48 86.91 2.55 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.17 0.51 . . . . 0.0 110.459 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -98.73 133.17 43.43 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.506 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -150.37 148.65 20.07 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.51 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.18 121.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -113.1 119.72 38.82 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.92 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' HB3' ' HA ' ' A' ' 55' ' ' VAL . 43.3 t-80 -78.34 122.44 25.76 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.623 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.3 t80 . . . . . 0 N--CA 1.434 -1.24 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -62.9 -42.66 99.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 p -153.18 149.89 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.019 0.438 . . . . 0.0 111.112 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 55.1 tttp -64.8 -42.61 94.88 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.977 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.03 -37.92 87.08 Favored 'General case' 0 C--O 1.203 -1.374 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.432 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.94 76.03 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.152 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.99 -54.44 15.23 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.133 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' HD1' ' O ' ' A' ' 30' ' ' LYS . 84.5 m-85 -65.68 -44.04 87.43 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.82 -55.41 35.48 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.885 0.374 . . . . 0.0 111.065 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.83 77.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.06 94.41 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.99 -36.26 81.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.302 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.66 98.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 109.679 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.361 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.53 88.16 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 p -64.6 -37.2 86.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.346 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.211 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.83 -50.48 73.63 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.182 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.9 mm -63.56 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.151 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.48 -43.11 93.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.623 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 8.7 t80 -86.8 -2.65 58.73 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.19 28.06 50.42 Favored Glycine 0 CA--C 1.509 -0.327 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.64 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.591 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 48.2 m170 -67.92 135.84 53.06 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.86 138.06 58.43 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.51 113.71 44.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.138 0.494 . . . . 0.0 112.092 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 52' ' ' ARG . 49.7 mmt-85 -111.19 138.77 47.22 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.691 174.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.4 mt -128.34 115.93 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.6 p -126.63 96.64 4.73 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-O 121.377 0.608 . . . . 0.0 109.867 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.481 ' HA ' ' HB3' ' A' ' 19' ' ' HIS . 3.5 p . . . . . 0 C--N 1.31 -1.123 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.842 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.231 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.616 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 78.7 t80 -130.23 132.21 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.655 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.511 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 24.5 p90 -120.23 131.06 54.8 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 40.7 t0 -86.53 107.69 18.22 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.614 -174.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -92.87 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.636 0.731 . . . . 0.0 112.74 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.77 132.68 67.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.612 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -109.47 119.29 5.44 Favored Glycine 0 CA--C 1.495 -1.186 0 C-N-CA 119.397 -1.382 . . . . 0.0 112.494 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.708 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.2 m -154.67 128.53 8.75 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-O 121.098 0.475 . . . . 0.0 111.594 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 -12.3 61.53 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.998 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -107.34 -35.14 6.88 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 118.298 -1.361 . . . . 0.0 111.317 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.708 ' O ' ' HB2' ' A' ' 11' ' ' SER . 38.0 ttm105 -143.9 108.11 4.77 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.007 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.612 ' CZ3' ' HA2' ' A' ' 10' ' ' GLY . 25.1 t-105 -102.86 129.65 49.62 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.864 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.88 136.95 9.21 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.092 -1.052 . . . . 0.0 113.827 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.502 HD11 ' HE1' ' A' ' 15' ' ' TRP . 48.8 mm -102.22 111.58 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 109.4 176.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.607 ' HG2' HH11 ' A' ' 18' ' ' ARG . 9.9 ttt-85 -108.72 119.34 39.24 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.3 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -78.05 127.0 31.66 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 122.262 -0.273 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.026 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.616 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 4.2 p90 . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -64.59 -40.37 95.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.088 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -143.62 142.71 31.16 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.432 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 41.2 ttmt -64.28 -43.51 94.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 109.844 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.22 -32.07 73.55 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.166 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.01 91.68 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.877 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -50.72 41.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.155 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 62.4 m-85 -62.73 -46.89 86.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.55 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.49 84.81 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.528 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -47.93 83.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.11 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.21 -36.61 82.07 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.895 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.02 97.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 121.649 0.737 . . . . 0.0 110.152 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.23 -36.06 80.87 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.565 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.24 99.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.944 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 p -63.61 -38.23 90.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.128 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.51 -41.24 98.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.293 0.568 . . . . 0.0 110.04 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.536 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.21 -51.74 68.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.578 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.62 -31.05 44.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.218 0.532 . . . . 0.0 110.387 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.16 -45.41 94.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.745 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -88.86 -3.95 58.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.29 25.54 65.8 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 120.109 -1.044 . . . . 0.0 111.815 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.536 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 65.7 m170 -65.62 138.65 58.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.48 121.18 12.62 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.49 129.83 54.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-O 121.027 0.441 . . . . 0.0 110.132 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -121.85 130.5 53.42 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -130.84 113.42 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.3 p -121.78 97.64 5.58 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.831 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.315 -0.898 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -179.744 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 30' ' ' LYS . . . . . . . . 0 C--O 1.239 0.517 0 CA-C-O 120.996 0.427 . . . . 0.0 110.126 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.422 ' OH ' ' HB3' ' A' ' 7' ' ' ASP . 17.0 t80 -102.78 137.64 40.72 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.871 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 19' ' ' HIS . 35.6 p90 -147.77 125.28 11.7 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.422 ' HB3' ' OH ' ' A' ' 5' ' ' TYR . 1.6 p30 -96.01 147.36 23.78 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.263 0.554 . . . . 0.0 110.768 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 pt -103.24 145.81 11.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.568 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 131.74 62.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.46 114.46 3.79 Favored Glycine 0 N--CA 1.439 -1.151 0 C-N-CA 119.769 -1.205 . . . . 0.0 112.299 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 68.7 m -150.43 126.93 10.8 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.42 -7.21 29.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -112.15 -33.16 6.32 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 118.934 -1.106 . . . . 0.0 111.326 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 11' ' ' SER . 56.8 mmm-85 -140.1 102.12 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -99.79 128.72 45.87 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.06 143.14 14.38 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.753 -1.213 . . . . 0.0 114.721 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.8 mm -108.23 113.74 44.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -112.91 111.65 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.664 -0.415 . . . . 0.0 111.723 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.556 ' HA ' ' CB ' ' A' ' 6' ' ' TYR . 62.9 t-80 -84.54 99.11 10.52 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.478 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 N--CA 1.438 -1.034 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.754 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.442 -0.86 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -70.15 -25.72 63.59 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.319 175.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 p -151.43 142.98 23.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.883 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 4' ' ' ALA . 29.7 mttm -71.17 -33.75 70.3 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.34 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.99 -33.67 75.89 Favored 'General case' 0 C--O 1.195 -1.774 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.083 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.79 97.57 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.967 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.4 -53.32 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.366 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.518 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 70.7 m-85 -63.71 -45.23 90.94 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.49 -49.61 76.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.83 90.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.0 88.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.057 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 -37.33 86.76 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.142 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.77 87.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.79 99.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.168 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.6 91.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.781 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 49.2 m -61.48 -47.02 87.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.84 -41.97 98.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.63 -51.05 71.03 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.405 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.65 -31.54 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.295 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 42' ' ' SER . 29.1 mtpp -62.41 -42.71 99.64 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.607 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -88.7 -2.9 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 111.115 -177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.41 17.66 66.02 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.51 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -67.43 133.8 50.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -61.44 130.45 46.1 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.395 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.85 114.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -101.08 124.65 47.13 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.121 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -115.59 110.35 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.916 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.9 p -120.25 97.11 5.43 Favored 'General case' 0 N--CA 1.414 -2.241 0 CA-C-O 121.771 0.796 . . . . 0.0 109.727 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.437 HG12 ' HB2' ' A' ' 19' ' ' HIS . 8.0 m . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.537 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.17 137.04 43.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.917 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -114.2 117.75 32.05 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.518 174.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 43.5 t0 -91.07 108.15 19.68 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.09 151.5 5.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 121.398 0.618 . . . . 0.0 112.314 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.98 137.77 49.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.353 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.02 114.34 3.67 Favored Glycine 0 N--CA 1.441 -1.023 0 C-N-CA 119.618 -1.277 . . . . 0.0 113.556 -174.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.6 m -151.53 116.28 5.16 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.92 28.83 0.06 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -135.35 -35.08 0.83 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.286 0.565 . . . . 0.0 109.78 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' HG3' ' HB3' ' A' ' 50' ' ' GLU . 62.3 ttt180 -142.0 114.46 8.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' NE1' ' HB1' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -112.42 130.05 56.11 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.864 -174.683 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.12 135.49 10.71 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 119.901 -1.142 . . . . 0.0 114.538 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mm -104.72 110.62 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 13.2 ttt-85 -111.79 119.22 37.88 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -78.42 136.96 37.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 18.1 t70 . . . . . 0 C--N 1.318 -0.794 0 CA-C-O 121.156 0.503 . . . . 0.0 110.482 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 t80 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -62.54 -42.6 99.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 p -167.19 157.13 10.96 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.92 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -65.38 -40.82 93.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.544 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.04 -36.23 83.71 Favored 'General case' 0 C--O 1.199 -1.582 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.639 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.81 71.34 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.63 0.252 . . . . 0.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.11 -55.39 8.3 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.312 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -64.91 -43.0 94.26 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.85 -54.48 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.912 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.78 83.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.97 83.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.51 -37.89 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.412 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 121.279 0.562 . . . . 0.0 110.229 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.57 ' HB1' ' NE1' ' A' ' 15' ' ' TRP . . . -64.38 -43.93 92.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.348 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.22 94.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.51 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 19.9 p -64.3 -41.55 96.8 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.652 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.942 0.401 . . . . 0.0 110.182 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.04 71.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.269 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.2 tt -66.57 -34.9 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.543 -176.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 42' ' ' SER . 62.1 mtpt -61.32 -39.54 90.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.555 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -89.72 -0.39 57.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.749 0.309 . . . . 0.0 111.657 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.65 76.17 Favored Glycine 0 CA--C 1.498 -1.03 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.377 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 45.7 m170 -65.78 145.12 56.37 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -60.93 107.84 0.77 Allowed 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.252 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 49' ' ' HIS . 61.6 t -100.36 108.42 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 121.155 0.503 . . . . 0.0 110.377 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -110.64 119.43 39.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.796 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -106.2 110.88 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -117.59 98.8 6.57 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 CA--C 1.549 0.928 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.589 -178.112 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 85.7 t80 -113.3 134.52 54.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.261 0.553 . . . . 0.0 111.632 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.45 131.12 57.03 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.5 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.84 116.64 29.07 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 HD13 ' A' ' 17' ' ' ILE . 2.9 mp -106.38 133.03 52.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-O 120.927 0.394 . . . . 0.0 110.278 -176.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -103.83 129.45 55.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.56 114.56 3.52 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.891 -1.147 . . . . 0.0 112.905 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -151.6 140.3 20.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.99 -2.51 15.57 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -108.13 -33.36 7.18 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.377 175.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -143.0 125.09 15.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.955 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.42 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 89.3 t90 -118.04 134.28 55.12 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.69 149.25 21.12 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 119.009 -1.567 . . . . 0.0 116.374 -173.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.448 HD13 HG23 ' A' ' 8' ' ' ILE . 46.7 mm -115.92 117.49 55.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 123.596 0.758 . . . . 0.0 109.212 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -116.41 120.57 39.24 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.571 0.224 . . . . 0.0 110.919 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.64 118.75 24.05 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 120.244 -0.583 . . . . 0.0 109.91 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.005 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' HB3' ' CD1' ' A' ' 5' ' ' TYR . 24.4 p90 . . . . . 0 C--O 1.237 0.411 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -70.09 -41.65 73.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.926 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -148.85 142.38 25.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.973 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.43 -39.0 91.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.25 -36.48 84.25 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.332 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.82 87.84 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.115 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.74 -58.8 3.08 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.668 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -66.36 -47.5 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.07 -48.03 82.01 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.339 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.89 91.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.914 0.387 . . . . 0.0 110.691 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.94 71.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.166 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -66.3 -35.85 81.44 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 111.003 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.4 77.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.288 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.18 -36.38 83.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.557 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . . . -59.49 -41.79 90.65 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.757 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -60.39 -46.33 90.38 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.644 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.82 -45.02 91.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.473 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.45 68.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.191 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 41' ' ' ALA . 19.8 tt -68.75 -36.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.284 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -62.04 -39.89 93.87 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.957 0.408 . . . . 0.0 110.703 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -85.95 -9.76 56.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.131 -176.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.45 22.81 57.93 Favored Glycine 0 CA--C 1.501 -0.843 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.762 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -67.28 142.37 56.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.09 137.4 58.11 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 p -112.85 131.28 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.85 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.96 114.17 21.14 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.71 111.37 35.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -117.75 95.42 4.93 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-O 121.482 0.658 . . . . 0.0 109.932 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.942 178.588 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 121.048 0.451 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -98.23 140.56 32.34 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.922 0.868 . . . . 0.0 111.587 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -124.69 117.94 25.35 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -95.5 108.38 20.61 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-O 121.227 0.537 . . . . 0.0 109.553 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 pp -90.05 145.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.952 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.26 129.05 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.37 114.17 3.73 Favored Glycine 0 CA--C 1.492 -1.353 0 C-N-CA 119.603 -1.284 . . . . 0.0 112.658 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.655 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.7 m -154.26 126.4 7.83 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.332 0.653 . . . . 0.0 109.618 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.04 -3.33 9.85 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.81 -30.13 7.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.518 0.675 . . . . 0.0 110.242 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 11' ' ' SER . 8.1 tpt180 -140.17 101.59 4.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.654 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.46 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -107.12 130.03 54.75 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.868 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.13 141.02 11.89 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.684 -1.246 . . . . 0.0 114.268 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.87 109.74 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 18' ' ' ARG . 13.3 ttp180 -112.29 114.65 27.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 111.451 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -81.13 93.29 6.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.168 0.509 . . . . 0.0 111.72 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.438 -1.073 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.695 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.1 p90 . . . . . 0 C--O 1.238 0.455 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.5 m -70.59 -40.52 73.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.17 0.51 . . . . 0.0 110.669 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t 176.55 143.33 0.08 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.129 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -67.05 -45.38 77.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.359 . . . . 0.0 110.445 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.12 -37.91 86.88 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.85 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.26 77.75 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 120.855 0.359 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.01 -57.42 5.48 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.884 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -65.96 -42.31 90.09 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.57 -52.9 63.59 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.4 93.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.587 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -50.0 75.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.018 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.06 -39.88 90.46 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.926 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.97 65.84 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.127 0.489 . . . . 0.0 111.216 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.21 88.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.775 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.86 88.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.914 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.7 m -61.21 -41.95 97.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -60.76 -47.13 87.7 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.922 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.68 -51.08 70.91 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.966 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.02 -40.48 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -61.97 -39.77 93.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.927 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.85 -4.41 59.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.731 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.86 11.31 70.74 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.717 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.468 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 50.9 m170 -69.5 134.16 48.56 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.55 133.27 52.02 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.319 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.3 p -113.6 132.36 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-O 121.128 0.489 . . . . 0.0 110.31 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.35 138.61 40.52 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 tt -126.86 110.64 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.438 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -128.49 95.18 4.06 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.159 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.858 -179.366 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 CA-C-O 121.228 0.537 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -124.32 134.37 53.2 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.88 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.406 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 31.2 p90 -127.29 134.82 49.98 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.845 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 53.6 t0 -86.57 108.0 18.39 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -90.07 140.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.18 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.5 t -112.19 129.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.86 114.83 3.68 Favored Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.686 -1.245 . . . . 0.0 112.41 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.55 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 43.1 m -150.02 135.98 18.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -72.74 -7.07 48.77 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -109.03 -29.66 8.45 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.216 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' A' ' 11' ' ' SER . 40.2 ttt180 -139.94 115.03 9.71 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 82.3 t90 -110.66 128.52 55.73 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -137.97 140.7 11.42 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 119.505 -1.331 . . . . 0.0 115.213 -174.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 47.9 mm -103.72 110.37 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HG2' HH11 ' A' ' 18' ' ' ARG . 0.0 OUTLIER -104.03 112.48 25.48 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.459 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -78.5 123.86 27.52 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--N 1.311 -1.103 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.386 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.7 p90 . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -67.57 -40.55 84.89 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -166.1 150.68 8.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.53 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -64.59 -48.33 75.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.47 -35.62 79.54 Favored 'General case' 0 C--O 1.192 -1.924 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 120.745 0.307 . . . . 0.0 110.646 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.27 -55.16 11.32 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 87.8 m-85 -63.94 -45.01 91.13 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.77 -53.63 55.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.466 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.16 86.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.323 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -51.42 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.507 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.44 -35.29 79.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.938 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.39 82.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.033 0.445 . . . . 0.0 110.16 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.27 83.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.352 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -59.98 -41.5 92.14 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 m -61.11 -46.85 88.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.477 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -63.31 -45.0 93.4 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.162 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -61.6 -52.29 64.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.493 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 41' ' ' ALA . 11.0 tp -70.37 -39.43 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.711 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.33 -35.72 79.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -86.08 -13.51 47.09 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.843 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.42 18.98 56.17 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 119.95 -1.119 . . . . 0.0 111.808 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.492 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 61.6 m170 -66.27 140.14 58.12 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.79 125.02 21.75 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.427 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 p -106.29 123.83 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 22.0 mmt180 -124.39 134.87 53.0 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.108 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -134.04 115.55 21.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.9 p -122.11 99.92 6.69 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.47 0.652 . . . . 0.0 111.399 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.683 176.908 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 7' ' ' ASP . 48.8 t80 -115.14 138.71 50.59 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.212 0.53 . . . . 0.0 111.82 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -118.43 115.38 24.53 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.22 175.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 18' ' ' ARG . 22.5 t70 -92.54 120.05 32.61 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.732 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 pt -107.99 151.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.447 0.641 . . . . 0.0 112.426 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -106.96 135.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 116.79 4.38 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.292 -1.432 . . . . 0.0 114.514 -172.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.822 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 31.3 t -156.48 131.61 9.19 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.72 -9.96 59.06 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -104.0 -30.38 10.31 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.357 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.822 ' O ' ' HB3' ' A' ' 11' ' ' SER . 56.1 mtp180 -140.41 111.47 7.07 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.168 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.457 ' N ' ' HD2' ' A' ' 49' ' ' HIS . 2.1 t-105 -127.24 126.31 42.5 Favored 'General case' 0 C--N 1.267 -2.983 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.8 142.16 13.49 Favored Glycine 0 N--CA 1.424 -2.158 0 CA-C-N 115.221 -0.899 . . . . 0.0 113.126 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -102.15 109.54 26.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' HA ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.41 123.01 43.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.761 0.791 . . . . 0.0 112.081 -176.661 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -72.65 136.31 45.64 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.823 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 19.4 t0 . . . . . 0 C--N 1.313 -0.981 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.5 p90 . . . . . 0 N--CA 1.43 -1.429 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -63.93 -40.15 95.78 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 121.511 0.672 . . . . 0.0 109.956 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 m -158.07 150.62 22.4 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.073 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.74 -47.07 85.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.658 0.266 . . . . 0.0 110.931 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.6 -31.86 72.82 Favored 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.24 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.45 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 120.886 0.374 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.73 -52.17 27.8 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.269 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -66.53 -44.28 82.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.9 -50.45 73.99 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.8 0.333 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.05 87.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.129 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -50.16 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.783 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.7 p -66.52 -39.74 88.78 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.693 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.81 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.334 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.38 90.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.55 94.71 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.466 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.5 m -62.81 -45.62 91.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.409 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.23 -43.5 97.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.333 0.587 . . . . 0.0 110.655 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.488 ' HB1' ' CG ' ' A' ' 49' ' ' HIS . . . -62.62 -46.72 86.98 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.52 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.71 -31.33 51.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.62 -31.9 72.83 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.317 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -84.6 -7.75 59.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.321 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.77 21.33 56.19 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.419 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.488 ' CG ' ' HB1' ' A' ' 44' ' ' ALA . 1.1 p-80 -66.5 147.33 53.44 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.66 133.78 50.93 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.361 -0.936 . . . . 0.0 108.696 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 p -108.05 139.64 29.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.543 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 52' ' ' ARG . 1.8 tpm_? -136.94 121.77 18.72 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.745 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -110.3 109.89 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -123.23 97.28 5.35 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-O 121.518 0.675 . . . . 0.0 110.421 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.31 -1.11 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.578 -179.05 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.484 0 CA-C-O 121.098 0.475 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 27' ' ' TYR . 27.8 t80 -110.91 120.39 42.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -107.59 115.29 29.89 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -92.1 107.83 19.49 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.726 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.37 136.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 -177.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.89 128.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 113.75 3.33 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.863 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.595 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.1 m -152.94 131.75 12.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.08 10.16 0.33 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.6 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 6.4 p30 -137.68 -30.12 0.84 Allowed 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.642 173.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.6 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 47.4 mmm-85 -122.59 100.75 7.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.538 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 87.7 t90 -106.83 128.21 54.07 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -144.31 150.42 22.49 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.522 -174.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.538 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 43.5 mm -116.13 123.2 71.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.445 ' HA ' HG23 ' A' ' 54' ' ' THR . 69.0 ttp85 -109.54 116.1 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.955 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -81.42 106.37 13.33 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 C--N 1.302 -1.457 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.139 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 6.4 t80 . . . . . 0 N--CA 1.441 -0.882 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -62.59 -41.22 98.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -154.11 148.38 25.95 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.231 -0.588 . . . . 0.0 112.172 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.86 -39.58 83.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.984 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.69 -35.65 81.38 Favored 'General case' 0 C--O 1.196 -1.734 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.49 78.82 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.168 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.22 -51.64 43.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.336 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -68.76 -41.75 78.42 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.23 -52.61 64.83 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.832 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -58.4 -52.54 65.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.583 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -66.78 -36.27 82.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.424 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.51 81.45 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.34 0.59 . . . . 0.0 109.747 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.16 83.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.615 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.88 97.6 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.821 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -60.98 -45.18 95.82 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.771 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.62 -47.32 84.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.73 67.03 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.867 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.78 -44.33 96.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.325 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.93 -34.82 76.78 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.027 0.442 . . . . 0.0 111.62 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 3.7 m-85 -86.84 -4.1 59.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.2 18.83 77.88 Favored Glycine 0 CA--C 1.502 -0.72 0 C-N-CA 119.948 -1.12 . . . . 0.0 112.002 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 3.5 m-70 -64.75 139.83 58.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.45 130.89 48.82 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.558 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.2 t -100.15 126.01 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -133.15 112.95 12.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -108.65 115.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 18' ' ' ARG . 7.8 t -112.3 97.24 6.5 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-O 122.382 1.087 . . . . 0.0 111.913 -177.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.304 -1.373 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.077 173.072 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -106.81 140.51 39.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 112.216 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -112.9 114.96 27.69 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -91.85 110.03 21.37 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.749 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 pt -100.52 145.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-O 121.496 0.665 . . . . 0.0 112.045 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.5 m -110.23 136.23 46.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.08 115.53 4.16 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 119.468 -1.349 . . . . 0.0 113.965 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.494 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.5 m -147.67 117.22 7.03 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -71.44 28.22 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -137.33 -34.98 0.69 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.0 ttt180 -142.6 112.91 7.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 128.88 56.02 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.323 -174.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.09 146.57 17.55 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.462 -0.875 . . . . 0.0 114.244 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.46 119.33 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -106.7 135.73 47.73 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 120.569 0.223 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -80.69 109.63 15.41 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.622 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.314 -0.955 0 CA-C-O 121.031 0.443 . . . . 0.0 110.085 179.427 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.54 0.21 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -66.55 -40.5 89.08 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -140.68 142.88 34.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.902 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -67.34 -37.66 83.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.778 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.24 -35.76 81.39 Favored 'General case' 0 C--O 1.191 -1.982 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.49 71.85 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.108 0.255 . . . . 0.0 110.5 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.96 -50.88 53.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.075 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -66.77 -42.1 86.64 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.953 0.406 . . . . 0.0 110.591 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -55.35 -54.58 41.78 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.868 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.6 75.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.505 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.89 84.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.42 -37.89 86.2 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.12 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.95 79.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.606 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.365 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.27 90.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.383 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -61.46 -44.95 96.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.798 0.332 . . . . 0.0 110.186 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -62.77 -42.53 99.73 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -52.08 66.45 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.609 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.06 -42.72 96.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.095 0.474 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.97 -43.25 91.32 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.073 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.41 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 3.2 t80 -88.81 -2.84 58.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.336 -176.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 7.39 66.17 Favored Glycine 0 CA--C 1.505 -0.578 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.501 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.41 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 28.8 m170 -67.36 136.54 54.94 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.406 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 33.3 tt0 -62.4 136.95 58.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.655 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.21 134.21 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.54 117.7 22.57 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.2 mt -102.03 115.1 43.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.2 m -116.48 95.31 4.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-O 121.812 0.815 . . . . 0.0 110.721 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.747 178.098 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -107.51 137.96 44.59 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.201 0.524 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.442 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 12.9 p90 -134.19 127.56 32.22 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.736 175.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.645 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.7 t70 -87.03 108.74 18.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.41 0.624 . . . . 0.0 110.359 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.7 pt -86.86 154.63 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.0 129.24 65.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.21 113.91 3.27 Favored Glycine 0 N--CA 1.431 -1.65 0 C-N-CA 119.589 -1.291 . . . . 0.0 112.743 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 55.3 m -153.87 144.84 22.73 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.14 -40.47 97.68 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -97.04 -28.64 14.06 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.491 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 11' ' ' SER . 39.4 mmm-85 -122.41 94.47 4.3 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 77.1 t90 -107.26 128.32 54.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.38 150.42 22.35 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.572 -1.299 . . . . 0.0 113.683 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.524 HD11 ' CZ3' ' A' ' 15' ' ' TRP . 3.9 mp -103.61 121.46 55.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.645 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 10.7 ttt-85 -115.65 111.13 20.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.106 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 8.0 t60 -77.37 127.06 31.91 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.509 ' CG ' HH12 ' A' ' 18' ' ' ARG . 4.8 t0 . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 10.8 t80 . . . . . 0 N--CA 1.422 -1.848 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -172.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -162.79 145.96 11.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.11 -0.369 . . . . 0.0 111.328 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.57 -33.21 73.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.019 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.58 -37.83 88.83 Favored 'General case' 0 C--O 1.202 -1.434 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.75 84.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 120.625 0.25 . . . . 0.0 111.094 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . . . -67.63 -55.29 13.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.311 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.22 -43.4 86.77 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.76 -53.07 62.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 123.176 0.297 . . . . 0.0 110.98 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.8 83.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.626 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.74 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.6 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.6 p -66.37 -37.01 84.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.743 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.79 -49.47 76.23 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.731 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.04 82.65 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.585 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -64.16 -41.57 97.09 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.567 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 65.4 p -63.72 -38.81 92.52 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.808 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -61.91 -47.77 83.43 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.3 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.543 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.98 -51.52 68.92 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.119 -176.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.01 -42.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 120.955 0.407 . . . . 0.0 110.912 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.77 -37.46 84.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.545 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -88.16 -9.05 54.37 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.15 59.14 Favored Glycine 0 CA--C 1.501 -0.836 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.587 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.543 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 57.6 m170 -67.68 142.3 56.4 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.04 130.48 46.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.13 125.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.951 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 52' ' ' ARG . 30.4 mmt180 -125.85 141.82 51.8 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.56 110.4 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -124.34 98.43 5.75 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.624 0.726 . . . . 0.0 110.372 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 19' ' ' HIS . 14.8 m . . . . . 0 CA--C 1.544 0.724 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.737 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -101.55 131.3 47.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.247 0.546 . . . . 0.0 111.585 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.64 119.58 39.94 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 15.4 t70 -92.28 108.48 19.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.227 0.537 . . . . 0.0 109.594 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.641 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -96.15 141.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.861 -177.555 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.1 129.42 75.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.26 112.66 3.22 Favored Glycine 0 N--CA 1.432 -1.626 0 C-N-CA 119.62 -1.276 . . . . 0.0 111.642 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.603 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.8 m -132.65 143.64 49.8 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.806 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 17.9 m-20 -69.81 -15.77 63.17 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.553 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 19.8 m120 -117.08 -33.09 4.82 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.852 -1.139 . . . . 0.0 111.788 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.603 ' O ' ' HB2' ' A' ' 11' ' ' SER . 44.9 mmm-85 -137.66 95.75 3.11 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.87 44.95 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.66 145.89 15.96 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.892 -172.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.5 mt -120.75 102.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.4 ptt85 -112.57 138.96 48.59 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.847 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -78.15 115.37 17.83 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 t0 . . . . . 0 N--CA 1.44 -0.944 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.29 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 p90 . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -69.94 -41.78 74.11 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.004 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m 178.57 -177.04 0.24 Allowed 'General case' 0 C--O 1.243 0.743 0 C-N-CA 125.014 1.326 . . . . 0.0 108.733 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.62 -16.25 62.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.096 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.12 -50.57 69.95 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.49 91.33 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -58.91 3.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.0 -52.31 66.31 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.538 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.98 92.86 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.27 70.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -67.46 -36.14 80.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.563 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.36 -48.73 79.94 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.321 0.581 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.55 84.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.04 93.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.124 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -62.05 -42.2 98.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.41 -45.13 92.41 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.259 0.552 . . . . 0.0 110.298 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.81 -50.67 71.4 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.751 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.65 -43.25 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.7 -38.98 89.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.763 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.508 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 10.8 t80 -83.84 -4.32 58.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.096 0.474 . . . . 0.0 111.326 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.22 23.43 56.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.806 ' CE1' ' HA ' ' A' ' 12' ' ' ASP . 34.4 m170 -65.74 129.57 40.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.25 144.38 55.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -112.11 139.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-O 121.475 0.655 . . . . 0.0 111.09 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.39 113.94 18.85 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.8 tp -105.07 110.65 31.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.357 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -118.25 94.6 4.55 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-O 121.562 0.696 . . . . 0.0 111.257 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.9 t . . . . . 0 C--N 1.305 -1.336 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.532 173.733 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.405 0.622 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -116.17 127.59 54.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.224 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -100.23 115.86 30.88 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 33.7 t70 -93.34 107.07 18.96 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.704 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -82.02 155.09 4.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.693 -175.485 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.07 132.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.15 111.52 3.37 Favored Glycine 0 CA--C 1.491 -1.445 0 C-N-CA 118.474 -1.822 . . . . 0.0 113.231 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.712 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 60.0 m -156.92 124.98 5.55 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 113.886 -1.157 . . . . 0.0 108.187 178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.77 -40.38 79.73 Favored 'General case' 0 C--O 1.185 -2.341 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.513 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 27.9 p-10 -91.44 -16.98 26.49 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.499 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.712 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.4 ttt180 -140.0 97.9 3.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.508 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 30.3 t-105 -103.03 131.2 50.18 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.582 -0.847 . . . . 0.0 112.51 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.13 132.88 9.59 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.778 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.8 mt -108.72 113.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 68.9 ttp85 -114.24 130.42 56.63 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.883 0.373 . . . . 0.0 111.291 -176.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -80.81 119.53 23.51 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.42 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 p90 . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -64.33 -41.06 96.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.399 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.9 t 174.39 157.74 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.32 -49.71 75.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 110.642 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.13 -35.65 80.2 Favored 'General case' 0 C--O 1.195 -1.798 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.01 89.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.13 -51.19 48.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.282 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -65.38 -42.26 92.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.718 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -57.09 -54.08 50.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.43 84.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.442 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.84 84.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.388 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.74 -37.05 83.87 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.691 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.7 75.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.123 0.487 . . . . 0.0 110.488 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.87 89.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.932 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.25 96.18 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 t -63.1 -41.56 99.4 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.487 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 8.2 t30 -60.36 -46.51 89.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' CA ' ' HB2' ' A' ' 49' ' ' HIS . . . -61.62 -51.33 68.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.01 -41.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.99 -39.84 75.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.487 ' HD1' ' O ' ' A' ' 43' ' ' ASN . 50.2 m-85 -87.54 -8.99 55.66 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.84 68.17 Favored Glycine 0 C--N 1.313 -0.705 0 C-N-CA 120.15 -1.024 . . . . 0.0 111.587 -176.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 13' ' ' ASN . 39.3 m170 -64.95 126.22 27.33 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 14' ' ' ARG . 11.5 pt-20 -61.47 130.44 46.05 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.256 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.4 p -124.29 130.52 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 121.505 0.669 . . . . 0.0 111.074 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 52' ' ' ARG . 6.3 mmt180 -116.67 135.38 53.83 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.278 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.3 mp -110.53 112.31 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 p -119.66 97.45 5.64 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-O 121.945 0.879 . . . . 0.0 111.312 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.308 -1.224 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.344 177.409 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.957 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -101.69 131.74 47.78 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.106 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -104.22 116.41 32.13 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.065 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.7 109.32 20.31 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.237 0.541 . . . . 0.0 110.067 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -96.71 141.94 14.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.279 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.37 128.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 114.65 3.55 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 119.876 -1.154 . . . . 0.0 113.809 -175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 50.1 m -150.59 138.24 19.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.96 -7.8 43.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -109.25 -31.82 7.43 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.217 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 11' ' ' SER . 47.0 mmm-85 -132.38 116.72 17.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.058 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.605 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 36.6 t90 -124.68 127.89 47.99 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.42 150.23 22.45 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 119.562 -1.304 . . . . 0.0 113.767 -175.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.524 HD11 ' CH2' ' A' ' 15' ' ' TRP . 41.4 mm -105.71 115.24 47.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 122.996 0.518 . . . . 0.0 109.839 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -106.64 116.01 31.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.029 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -74.84 108.88 7.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.642 -178.071 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -66.82 -41.17 87.92 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -137.78 140.99 40.9 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.597 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 54.5 tttp -69.32 -38.84 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.092 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.41 -34.31 77.88 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.6 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.25 90.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.73 0.3 . . . . 0.0 111.035 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -52.57 31.19 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.037 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -63.97 -44.16 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.63 -49.02 79.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.023 0.439 . . . . 0.0 110.75 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.74 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.716 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.4 70.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.129 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.93 -36.22 82.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.07 0.462 . . . . 0.0 110.253 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.46 77.23 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.335 0.588 . . . . 0.0 110.44 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.88 85.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.474 176.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -61.41 -38.1 85.9 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.216 177.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.2 m -60.6 -45.24 94.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -43.89 97.56 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.195 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.75 71.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.995 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.7 mm -62.49 -43.61 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.097 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.59 -32.81 71.9 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.515 0.674 . . . . 0.0 110.47 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.433 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-85 -86.14 -9.24 57.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.13 17.7 77.79 Favored Glycine 0 CA--C 1.5 -0.868 0 C-N-CA 120.222 -0.989 . . . . 0.0 111.259 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 5.6 m-70 -66.05 140.17 58.24 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.58 122.39 14.56 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 123.473 0.483 . . . . 0.0 110.281 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 75.0 t -115.69 129.47 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -126.86 126.74 43.83 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -107.32 115.79 49.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.4 m -108.89 98.07 7.61 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.086 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.313 -0.994 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.456 175.505 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 121.299 0.571 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -112.43 139.52 47.92 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.455 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -137.45 123.78 20.65 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.431 0.634 . . . . 0.0 110.122 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.521 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 8.6 t0 -88.8 112.91 23.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.564 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.752 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.36 155.17 3.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-O 121.542 0.687 . . . . 0.0 112.578 -175.09 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.0 129.94 59.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.396 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.78 113.95 3.47 Favored Glycine 0 N--CA 1.433 -1.544 0 C-N-CA 119.788 -1.196 . . . . 0.0 112.985 -176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.627 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.2 m -151.26 136.77 17.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.33 -11.95 61.25 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -103.91 -32.06 9.46 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.822 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 11' ' ' SER . 35.2 ttt180 -141.9 122.1 13.87 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 34.6 t90 -115.04 127.36 55.59 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.35 137.3 12.49 Favored Glycine 0 CA--C 1.503 -0.68 0 C-N-CA 120.606 -0.807 . . . . 0.0 114.114 -172.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mt -109.06 108.18 24.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -115.26 112.89 23.13 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 111.297 -177.206 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -75.65 132.96 40.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.511 ' CG ' HH12 ' A' ' 18' ' ' ARG . 17.1 t0 . . . . . 0 C--N 1.315 -0.931 0 CA-C-O 121.08 0.467 . . . . 0.0 110.49 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 p90 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -65.69 -41.92 91.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.683 0.278 . . . . 0.0 111.526 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -173.74 154.47 2.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.175 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 62.6 tttp -63.46 -49.03 75.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.09 -35.59 80.13 Favored 'General case' 0 C--O 1.192 -1.962 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.355 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.72 97.84 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -49.72 57.23 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.465 ' HD1' ' O ' ' A' ' 30' ' ' LYS . 72.5 m-85 -64.59 -46.58 82.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.345 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.54 -54.91 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.673 0.273 . . . . 0.0 111.339 -177.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.28 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.43 81.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -66.07 -35.55 80.83 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.724 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.09 77.77 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.324 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.2 86.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.622 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.86 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.006 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -61.25 -45.64 93.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -62.95 -40.58 98.11 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.38 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.689 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . . . -58.75 -52.13 67.0 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.917 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -69.63 -37.55 74.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.027 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -61.19 -45.09 96.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.566 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.641 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 46.6 t80 -86.61 -2.06 58.18 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.831 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.06 30.08 48.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.767 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.689 ' CD2' ' HA ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -66.08 133.85 51.6 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.525 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 39.1 tt0 -63.55 117.59 6.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.424 -0.91 . . . . 0.0 108.64 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 57.6 t -97.68 120.76 47.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 pt -105.01 115.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 CA-C-O 121.44 0.638 . . . . 0.0 110.726 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.0 m -123.01 94.65 4.33 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-O 121.669 0.747 . . . . 0.0 109.118 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.31 -1.116 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.434 179.766 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.011 0.434 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -106.37 131.0 54.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.428 ' OH ' ' HA ' ' A' ' 34' ' ' PHE . 34.0 p90 -115.74 129.82 56.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.9 108.28 19.61 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.315 0.579 . . . . 0.0 110.49 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -84.76 153.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.491 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -115.27 129.54 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.08 114.7 3.62 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 119.607 -1.283 . . . . 0.0 114.206 -174.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.1 m -155.28 143.61 20.28 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.76 -23.13 64.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -103.13 -29.5 11.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.992 0.425 . . . . 0.0 111.433 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 11' ' ' SER . 49.1 mmm-85 -135.63 100.01 4.36 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 5.4 t90 -107.1 126.05 51.86 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.72 137.45 12.46 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.368 -173.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.7 mt -109.03 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -108.45 127.41 53.89 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.801 -177.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.459 ' HB2' HG12 ' A' ' 55' ' ' VAL . 48.4 t-80 -81.97 120.28 25.03 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.663 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 N--CA 1.434 -1.26 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 178.777 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -66.37 -39.41 89.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.677 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -153.72 149.0 27.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.783 0.325 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -63.88 -30.5 71.58 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.5 -38.97 89.27 Favored 'General case' 0 C--O 1.197 -1.697 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.135 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.88 85.7 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.625 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.53 -57.86 3.83 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.314 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 68.2 m-85 -62.06 -45.73 92.26 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.521 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.11 -53.73 55.07 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.987 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.019 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.74 80.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.802 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.3 p -66.11 -35.29 80.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.06 83.55 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.156 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.417 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.2 93.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.8 m -61.9 -46.01 91.22 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.916 0.389 . . . . 0.0 110.289 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.43 -43.37 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.07 -49.98 73.79 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.87 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 tt -66.65 -31.28 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.232 0.539 . . . . 0.0 110.263 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.94 -36.86 82.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.314 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -86.15 -6.9 58.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.217 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.87 39.5 11.75 Favored Glycine 0 CA--C 1.503 -0.695 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.262 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.515 ' CD2' ' HB3' ' A' ' 15' ' ' TRP . 12.5 p-80 -67.94 141.18 56.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.614 0.245 . . . . 0.0 110.567 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.57 127.75 33.57 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.1 p -94.44 133.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.397 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.01 118.32 24.23 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -106.6 114.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -117.57 94.88 4.71 Favored 'General case' 0 N--CA 1.425 -1.702 0 CA-C-O 121.62 0.724 . . . . 0.0 110.273 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 19' ' ' HIS . 10.6 m . . . . . 0 C--N 1.312 -1.065 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.868 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -101.59 120.98 41.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.532 0.682 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -108.01 116.46 32.0 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -92.1 108.04 19.65 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -99.57 142.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.052 -176.148 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.1 m -113.08 135.22 53.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.006 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.26 115.9 3.79 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 119.798 -1.191 . . . . 0.0 114.183 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.62 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 30.3 t -148.58 137.24 21.42 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.98 -2.96 17.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.623 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.0 -31.88 3.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.329 177.07 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.62 ' O ' ' HB3' ' A' ' 11' ' ' SER . 27.1 mmm-85 -128.66 95.39 4.1 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.54 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -103.65 129.37 50.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.47 148.51 20.2 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.739 -1.22 . . . . 0.0 114.14 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mp -107.56 118.24 54.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -115.54 113.25 23.38 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.859 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -82.09 104.95 12.8 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 CA--C 1.512 -0.481 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.637 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 p90 . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' SER . 15.8 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.256 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' SER . 22.7 t 172.07 146.49 0.04 OUTLIER 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.29 -45.3 88.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 110.505 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -65.68 -36.15 82.81 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.78 87.76 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 120.829 0.347 . . . . 0.0 110.629 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.63 39.79 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.327 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -67.08 -41.26 86.63 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.2 -54.65 44.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.009 0.433 . . . . 0.0 110.509 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.58 93.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.206 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.434 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -59.21 -50.54 73.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.129 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.61 -37.33 82.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.855 0.359 . . . . 0.0 111.212 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.0 77.7 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.353 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.76 88.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.58 94.36 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.642 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 m -61.03 -49.51 77.11 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.802 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -64.73 -42.55 95.13 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.581 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.51 -51.84 67.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 111.34 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mm -65.2 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.362 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -58.64 -39.54 80.84 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.241 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -86.6 -17.59 33.54 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.636 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 23.34 30.47 Favored Glycine 0 C--N 1.316 -0.568 0 C-N-CA 119.862 -1.161 . . . . 0.0 111.184 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.581 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 63.7 m170 -65.65 137.63 57.46 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.69 138.95 57.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.064 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.96 134.88 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.289 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -118.91 134.41 55.19 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -125.51 117.47 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.519 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -130.74 95.01 3.74 Favored 'General case' 0 N--CA 1.417 -2.103 0 CA-C-O 121.887 0.851 . . . . 0.0 110.941 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.385 178.052 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -102.8 133.44 47.85 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.702 . . . . 0.0 112.444 -174.738 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -122.32 116.8 24.69 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.19 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -92.55 107.03 18.91 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -92.63 145.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.045 -174.519 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 m -111.45 130.95 64.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 173.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.57 112.63 3.04 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 119.657 -1.259 . . . . 0.0 113.171 -175.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -153.54 142.73 21.42 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 176.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.6 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 7.6 p-10 -71.57 -7.96 50.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.943 0.401 . . . . 0.0 111.778 -178.766 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.5 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 3.7 p30 -112.89 -30.59 6.99 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.724 178.178 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 55.7 mmm-85 -129.4 111.4 12.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.444 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 68.7 t90 -116.84 132.98 56.56 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.67 132.25 4.67 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 119.428 -1.367 . . . . 0.0 115.992 -173.232 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.444 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 50.5 mm -104.65 105.85 19.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.102 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -115.94 116.82 28.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.653 0.263 . . . . 0.0 110.946 -176.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -82.48 92.75 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.065 0.46 . . . . 0.0 112.027 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.308 -1.217 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.831 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.5 p90 . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -66.58 -42.4 87.04 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.014 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p 176.4 150.7 0.14 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.547 0.339 . . . . 0.0 110.487 178.378 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.724 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.71 -37.27 84.36 Favored 'General case' 0 C--O 1.198 -1.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -35.1 78.57 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.43 -53.2 25.18 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.298 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -68.03 -43.7 78.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.83 -53.98 52.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.887 0.375 . . . . 0.0 110.734 -178.364 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.093 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.75 76.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.3 m -66.85 -36.89 83.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.028 0.442 . . . . 0.0 110.626 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.42 80.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.51 78.02 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.166 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.66 89.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.764 178.215 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -61.86 -46.2 90.5 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 178.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.21 -39.04 93.16 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.187 177.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.76 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -58.37 -52.11 66.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.628 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -67.27 -40.78 85.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.253 0.549 . . . . 0.0 109.788 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 ttmt -57.52 -44.97 85.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.083 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.489 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 44.3 t80 -92.68 -6.1 49.97 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -175.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.9 32.59 23.48 Favored Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 119.808 -1.187 . . . . 0.0 111.987 -178.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.76 ' CG ' ' HA ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -66.51 140.99 58.03 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.518 179.252 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.74 123.28 18.01 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.197 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.63 125.5 48.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.218 0.533 . . . . 0.0 111.766 -175.393 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -130.89 130.86 44.07 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.272 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mp -125.82 116.9 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.835 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -126.11 97.04 4.93 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.757 0.789 . . . . 0.0 111.886 -178.405 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--N 1.315 -0.913 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.199 177.531 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.58 ' HB3' ' OD1' ' A' ' 70' ' ' ASN . 15.2 tpt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.704 0.288 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.1 -138.36 9.12 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.654 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -159.96 113.15 2.15 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.71 81.94 8.64 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.407 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -107.59 125.03 50.81 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.922 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.06 128.38 55.85 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.714 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -87.84 108.67 19.27 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.535 HG22 HD12 ' A' ' 17' ' ' ILE . 29.6 pt -100.1 142.38 15.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.388 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -110.63 134.33 53.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.54 113.56 3.55 Favored Glycine 0 N--CA 1.426 -2.01 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.334 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 69.5 m -155.46 127.3 7.49 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.511 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 9.9 p-10 -69.88 -8.41 48.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 20.3 m120 -109.73 -30.54 7.82 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.682 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.3 mmm-85 -138.32 96.51 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 89.6 t90 -101.76 131.26 48.15 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.15 149.93 21.9 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 118.979 -1.581 . . . . 0.0 113.799 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.535 HD12 HG22 ' A' ' 8' ' ' ILE . 48.0 mm -115.44 122.84 70.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 122.381 0.272 . . . . 0.0 110.324 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 54' ' ' THR . 63.7 ttp85 -112.42 120.2 40.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.356 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.566 ' HB2' HG12 ' A' ' 55' ' ' VAL . 30.2 t-80 -74.81 117.19 16.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -67.41 94.54 0.4 Allowed 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 123.993 0.808 . . . . 0.0 109.366 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -70.1 -22.27 63.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.215 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -116.82 101.41 53.52 Favored Pre-proline 0 C--N 1.314 -0.952 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -43.16 93.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 123.769 2.979 . . . . 0.0 114.059 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 p -69.76 -38.37 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.569 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.12 1.74 84.16 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.265 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -99.81 100.49 11.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.092 0.472 . . . . 0.0 111.698 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -159.72 138.14 10.48 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.543 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 m -65.55 -40.65 93.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 t -171.77 158.87 5.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.735 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.54 -45.93 88.33 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.86 -36.81 83.17 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.072 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.74 85.94 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.16 -51.72 35.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -64.79 -44.23 90.62 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -58.09 -53.61 56.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.919 0.39 . . . . 0.0 110.706 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.69 92.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.76 72.28 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.628 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.68 -38.0 85.91 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.87 0.366 . . . . 0.0 111.014 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.88 83.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.608 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.12 86.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.41 95.06 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -61.22 -45.88 92.75 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.03 0.443 . . . . 0.0 110.162 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -63.53 -40.81 97.99 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.682 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -58.64 -52.84 63.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.254 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.11 -37.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-O 121.26 0.553 . . . . 0.0 110.006 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.705 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 20.2 t80 -92.14 -3.21 55.96 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.18 22.03 53.22 Favored Glycine 0 N--CA 1.464 0.514 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.825 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 41.3 m170 -66.05 135.24 54.37 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.26 132.96 55.58 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -104.02 120.1 53.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -116.92 118.23 31.88 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.51 110.96 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 34.4 m -127.74 92.99 3.59 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.593 0.711 . . . . 0.0 109.388 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 19' ' ' HIS . 30.9 m -128.8 87.88 53.48 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.228 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 19' ' ' HIS . 31.3 Cg_exo -60.89 140.08 88.43 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.107 1.871 . . . . 0.0 111.78 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -136.28 -114.48 1.35 Allowed Glycine 0 N--CA 1.44 -1.038 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.349 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' HA ' HD12 ' A' ' 65' ' ' LEU . 7.9 t30 -76.68 -8.47 57.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.251 0.548 . . . . 0.0 110.543 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -83.4 -7.74 59.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.164 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.36 66.28 2.69 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.989 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -63.24 -41.63 99.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.716 0.294 . . . . 0.0 110.726 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.18 -36.13 83.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.2 p -87.37 28.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.689 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 45.9 38.43 4.48 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.395 0.678 . . . . 0.0 112.275 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 58' ' ' ASN . 2.7 mm? 64.0 81.99 0.19 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.002 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.66 57.52 4.2 Favored Glycine 0 CA--C 1.51 -0.263 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.095 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.561 HG12 HG22 ' A' ' 69' ' ' THR . 28.6 t -92.67 -77.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.462 HG13 ' C ' ' A' ' 67' ' ' VAL . 2.8 pp 42.78 23.54 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.561 HG22 HG12 ' A' ' 67' ' ' VAL . 9.6 t -98.31 81.78 2.81 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.967 0.889 . . . . 0.0 110.93 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.58 ' OD1' ' HB3' ' A' ' 1' ' ' MET . 7.9 p30 . . . . . 0 C--O 1.254 1.312 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.898 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtm . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.515 0.198 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.68 -58.38 4.73 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.935 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -67.06 130.46 43.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -145.72 99.02 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.117 0.484 . . . . 0.0 111.065 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 27' ' ' TYR . 86.8 t80 -128.43 132.99 48.46 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.12 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 44.5 p90 -135.61 122.21 20.82 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.735 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.2 t0 -86.64 126.4 34.5 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.542 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.0 pt -102.18 154.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -123.74 129.4 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.831 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.52 114.79 2.33 Favored Glycine 0 N--CA 1.441 -1.028 0 C-N-CA 119.413 -1.375 . . . . 0.0 114.216 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.558 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 47.2 m -124.45 148.83 47.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.74 -9.78 58.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -113.82 -29.36 7.1 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 11' ' ' SER . 34.8 ttt180 -135.65 122.17 20.72 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.404 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 70.8 t90 -123.61 129.22 50.82 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.827 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -142.9 147.2 18.54 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 119.956 -1.116 . . . . 0.0 114.011 -175.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.404 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 49.7 mm -103.93 117.47 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.735 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 1.3 ttt-85 -109.67 104.58 13.6 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.887 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -81.68 129.37 34.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.724 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' CG ' HH12 ' A' ' 18' ' ' ARG . 2.8 m-20 -71.03 105.69 3.41 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.98 -37.74 88.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.701 0.762 . . . . 0.0 109.28 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -112.59 92.18 19.21 Favored Pre-proline 0 C--N 1.311 -1.09 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.09 120.12 5.18 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.959 2.44 . . . . 0.0 113.132 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 p -70.47 -36.84 74.1 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.618 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.93 -21.78 32.07 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 113.915 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.17 126.44 34.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.991 0.424 . . . . 0.0 111.897 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.557 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 44.3 p90 -154.04 150.6 28.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.913 176.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -69.15 -40.85 77.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.513 0.673 . . . . 0.0 109.652 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.1 t -167.72 142.31 3.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.981 -1.008 . . . . 0.0 108.826 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 28.2 ttpp -65.86 -43.58 87.97 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.21 -35.37 80.26 Favored 'General case' 0 C--O 1.194 -1.865 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.514 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.68 83.44 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 123.221 0.326 . . . . 0.0 110.926 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.84 61.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 91.8 m-85 -65.45 -40.69 93.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 111.127 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.63 -54.9 40.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.105 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.75 85.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.29 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.349 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -67.87 -36.42 80.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.292 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.58 96.89 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.135 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.95 85.05 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.6 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.28 99.12 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.433 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 p -62.78 -45.92 90.42 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.671 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -63.06 -41.09 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 0.0 109.805 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -59.89 -52.28 66.12 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.966 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -69.78 -40.22 78.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.502 -178.389 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.73 -41.29 99.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.646 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 31.4 t80 -86.92 -5.81 58.98 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 30.92 35.98 Favored Glycine 0 CA--C 1.502 -0.739 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.646 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 33.7 m170 -65.54 143.02 57.91 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.89 118.95 7.9 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.1 126.86 49.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.445 0.64 . . . . 0.0 111.62 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 69.6 mmt-85 -128.36 134.34 48.84 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.393 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.3 mm -126.26 117.21 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 p -123.99 98.66 5.89 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.392 0.615 . . . . 0.0 111.294 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 p -123.89 89.57 51.45 Favored Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.217 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.6 145.23 63.26 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.757 2.305 . . . . 0.0 112.103 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.65 176.02 28.3 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.734 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -90.19 20.41 4.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.461 0.648 . . . . 0.0 110.667 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.49 20.99 2.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.336 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.52 -56.26 0.87 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.497 -176.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.9 m -75.07 125.28 28.6 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -78.61 89.37 4.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.935 0.398 . . . . 0.0 110.25 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.5 t -88.8 159.85 17.54 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.407 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -74.78 140.5 44.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.47 136.52 53.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.688 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.89 -5.43 2.24 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.241 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.6 m -83.14 103.04 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.578 0.704 . . . . 0.0 110.901 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.0 pt -95.14 -8.85 9.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.32 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.4 m -98.42 115.27 28.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.962 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.255 1.361 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.748 178.764 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.13 -101.52 1.03 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.997 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -165.93 143.55 5.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.08 110.3 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.727 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -118.18 126.23 51.79 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.649 0.738 . . . . 0.0 111.78 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.471 ' HE1' ' CE2' ' A' ' 34' ' ' PHE . 46.8 p90 -118.71 136.16 54.09 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.577 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -90.53 115.19 27.48 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.372 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.672 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.19 143.99 10.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.972 -178.008 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.02 131.84 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.17 114.89 3.79 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.532 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.66 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.9 m -153.29 129.16 10.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.97 -10.24 57.91 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -107.1 -29.13 9.57 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.199 -1.0 . . . . 0.0 110.122 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.66 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.0 mmm-85 -136.89 100.27 4.26 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.48 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.703 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 31.3 t90 -101.81 126.37 48.67 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.261 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.38 141.44 12.75 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.476 -0.868 . . . . 0.0 113.326 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.678 HD11 ' CZ3' ' A' ' 15' ' ' TRP . 21.0 mt -115.06 124.26 71.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 54' ' ' THR . 66.0 ttp85 -120.46 120.39 35.78 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.24 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -75.42 123.48 25.48 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 12.7 t0 -66.34 118.33 9.87 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.984 -173.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -87.18 -5.24 59.05 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.508 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -135.61 108.46 10.08 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.79 110.03 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.003 2.469 . . . . 0.0 113.37 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -88.15 -18.41 28.83 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.105 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.71 -44.96 2.09 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-N 115.506 -0.77 . . . . 0.0 114.676 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.07 126.33 30.79 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -176.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -154.21 138.43 16.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.124 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -68.85 -41.22 78.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.817 0.342 . . . . 0.0 111.281 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -171.44 151.73 3.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.576 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -65.06 -42.78 93.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.78 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.44 -36.53 83.03 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.662 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.44 81.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 120.624 0.25 . . . . 0.0 110.665 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.25 5.37 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.471 ' CE2' ' HE1' ' A' ' 6' ' ' TYR . 85.5 m-85 -63.99 -46.77 83.11 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.96 -53.96 52.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 -177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.08 85.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.862 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.76 68.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.809 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.42 -36.11 82.0 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.52 75.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.059 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.723 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.703 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -62.62 -37.73 87.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.002 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 m -61.26 -46.19 91.41 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.987 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.36 -44.11 95.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.849 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.25 -51.06 71.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.938 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -68.84 -38.11 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 0.0 111.254 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.14 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -87.62 -6.05 58.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.97 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.05 20.77 79.16 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.857 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.439 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 60.7 m170 -65.52 137.08 57.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.15 126.43 27.49 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.261 -0.575 . . . . 0.0 109.716 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 17.7 m -109.81 127.42 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.353 0.597 . . . . 0.0 110.1 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' NH1' ' HA ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -114.69 115.94 27.9 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.94 109.86 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 27.1 m -119.05 96.36 5.2 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 121.644 0.735 . . . . 0.0 109.547 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m -116.93 87.87 23.91 Favored Pre-proline 0 C--N 1.306 -1.323 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.029 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -73.71 148.55 41.79 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.29 1.994 . . . . 0.0 111.971 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.92 -9.71 6.7 Favored Glycine 0 N--CA 1.438 -1.181 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' OD1' ' HB3' ' A' ' 61' ' ' SER . 24.0 p-10 -99.93 163.08 12.6 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.115 -0.543 . . . . 0.0 110.538 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -81.72 113.19 19.53 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.454 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.48 69.94 1.19 Allowed Glycine 0 C--N 1.341 0.809 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.464 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.49 ' HB3' ' OD1' ' A' ' 58' ' ' ASN . 45.9 p -87.25 -15.67 37.47 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -109.28 -63.47 1.35 Allowed 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.544 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.48 2.28 0.54 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 t30 73.93 -39.04 0.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.29 0.636 . . . . 0.0 112.278 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.56 -165.42 0.21 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.052 0.541 . . . . 0.0 111.775 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.78 158.97 31.91 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.2 108.71 19.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.659 0.743 . . . . 0.0 111.438 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.0 pt -97.37 0.99 10.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.484 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.5 t -88.61 120.22 29.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.389 0.614 . . . . 0.0 111.185 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.316 -0.885 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.507 178.71 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.696 0.284 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.93 84.35 0.99 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.452 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -164.41 109.41 0.98 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.02 91.08 8.58 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -107.99 137.69 45.55 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.043 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -123.28 125.12 44.46 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.65 110.66 21.82 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.446 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 pt -88.53 151.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.864 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -113.8 130.79 67.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 176.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.89 113.95 3.75 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 119.459 -1.353 . . . . 0.0 112.017 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.605 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 73.2 m -151.44 138.87 19.47 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.559 -0.32 . . . . 0.0 110.659 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.468 ' HA ' ' NE2' ' A' ' 49' ' ' HIS . 10.6 m-20 -70.21 -22.98 62.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -112.72 -32.85 6.29 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.13 -1.028 . . . . 0.0 113.003 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 11' ' ' SER . 51.8 mmm-85 -127.48 86.91 2.55 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.17 0.51 . . . . 0.0 110.459 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -98.73 133.17 43.43 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.506 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -150.37 148.65 20.07 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.51 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.18 121.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -113.1 119.72 38.82 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.92 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' HB3' ' HA ' ' A' ' 55' ' ' VAL . 43.3 t-80 -78.34 122.44 25.76 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -84.32 110.65 18.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -86.6 -6.35 58.89 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -138.05 168.11 17.45 Favored Pre-proline 0 C--N 1.309 -1.189 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -71.31 67.32 2.71 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.11 1.873 . . . . 0.0 112.615 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -100.52 -39.1 8.09 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.732 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.54 94.75 0.97 Allowed Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -85.06 105.04 15.51 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.21 0.529 . . . . 0.0 109.665 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -93.79 150.08 20.69 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.098 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -62.9 -42.66 99.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 p -153.18 149.89 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.019 0.438 . . . . 0.0 111.112 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 55.1 tttp -64.8 -42.61 94.88 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.977 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.03 -37.92 87.08 Favored 'General case' 0 C--O 1.203 -1.374 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.432 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.94 76.03 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.152 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.99 -54.44 15.23 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.133 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' HD1' ' O ' ' A' ' 30' ' ' LYS . 84.5 m-85 -65.68 -44.04 87.43 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.82 -55.41 35.48 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.885 0.374 . . . . 0.0 111.065 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.83 77.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.06 94.41 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.99 -36.26 81.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.302 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.66 98.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 109.679 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.361 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.53 88.16 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 p -64.6 -37.2 86.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.346 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.211 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.83 -50.48 73.63 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.182 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.9 mm -63.56 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.151 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.48 -43.11 93.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.623 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 8.7 t80 -86.8 -2.65 58.73 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.19 28.06 50.42 Favored Glycine 0 CA--C 1.509 -0.327 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.64 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.591 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 48.2 m170 -67.92 135.84 53.06 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.86 138.06 58.43 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.51 113.71 44.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.138 0.494 . . . . 0.0 112.092 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 52' ' ' ARG . 49.7 mmt-85 -111.19 138.77 47.22 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.691 174.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.4 mt -128.34 115.93 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.6 p -126.63 96.64 4.73 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-O 121.377 0.608 . . . . 0.0 109.867 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.481 ' HA ' ' HB3' ' A' ' 19' ' ' HIS . 3.5 p -115.58 83.54 11.23 Favored Pre-proline 0 C--N 1.31 -1.123 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.842 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 19' ' ' HIS . 83.1 Cg_endo -87.7 152.75 7.48 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 122.41 2.073 . . . . 0.0 112.139 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.13 -37.35 0.7 Allowed Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 175.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -177.22 110.88 0.08 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.824 0.85 . . . . 0.0 109.282 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -87.23 -10.43 52.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.217 0.532 . . . . 0.0 110.458 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.47 -41.55 2.46 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.094 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 p -72.73 136.58 45.55 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 120.857 0.36 . . . . 0.0 110.251 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -79.04 97.06 5.96 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.835 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 m -148.58 82.48 1.46 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.319 0.58 . . . . 0.0 110.419 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -99.04 111.23 23.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.246 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.4 mt -78.56 -75.58 0.22 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.3 175.66 42.01 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.112 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.3 m -88.36 127.03 41.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.056 0.455 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.9 pt -94.17 9.91 4.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.941 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.4 m -89.36 111.65 22.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.137 0.494 . . . . 0.0 110.628 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.344 178.818 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.896 0.379 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.89 22.66 73.98 Favored Glycine 0 C--O 1.237 0.327 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.322 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.496 ' HG2' ' OH ' ' A' ' 27' ' ' TYR . 66.2 tttt -67.6 137.9 56.01 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.08 91.69 8.49 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.616 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 78.7 t80 -130.23 132.21 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.655 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.511 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 24.5 p90 -120.23 131.06 54.8 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 40.7 t0 -86.53 107.69 18.22 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.614 -174.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -92.87 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.636 0.731 . . . . 0.0 112.74 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.77 132.68 67.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.612 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -109.47 119.29 5.44 Favored Glycine 0 CA--C 1.495 -1.186 0 C-N-CA 119.397 -1.382 . . . . 0.0 112.494 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.708 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.2 m -154.67 128.53 8.75 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-O 121.098 0.475 . . . . 0.0 111.594 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 -12.3 61.53 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.998 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -107.34 -35.14 6.88 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 118.298 -1.361 . . . . 0.0 111.317 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.708 ' O ' ' HB2' ' A' ' 11' ' ' SER . 38.0 ttm105 -143.9 108.11 4.77 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.007 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.612 ' CZ3' ' HA2' ' A' ' 10' ' ' GLY . 25.1 t-105 -102.86 129.65 49.62 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.864 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.88 136.95 9.21 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.092 -1.052 . . . . 0.0 113.827 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.502 HD11 ' HE1' ' A' ' 15' ' ' TRP . 48.8 mm -102.22 111.58 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 109.4 176.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.607 ' HG2' HH11 ' A' ' 18' ' ' ARG . 9.9 ttt-85 -108.72 119.34 39.24 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.3 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -78.05 127.0 31.66 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 122.262 -0.273 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -96.97 103.14 15.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.03 -16.6 27.65 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.644 0.735 . . . . 0.0 110.404 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -121.01 91.55 47.97 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.12 -0.946 . . . . 0.0 108.561 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -39.73 102.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 124.084 3.19 . . . . 0.0 114.313 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -111.28 -34.82 6.03 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.94 177.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.4 107.55 1.86 Allowed Glycine 0 N--CA 1.432 -1.613 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.586 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.71 164.21 23.9 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.616 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 4.2 p90 -137.66 137.66 38.64 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -64.59 -40.37 95.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.088 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -143.62 142.71 31.16 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.432 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 41.2 ttmt -64.28 -43.51 94.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 109.844 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.22 -32.07 73.55 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.166 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.01 91.68 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.877 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -50.72 41.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.155 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 62.4 m-85 -62.73 -46.89 86.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.55 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.49 84.81 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.528 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -47.93 83.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.11 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.21 -36.61 82.07 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.895 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.02 97.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 121.649 0.737 . . . . 0.0 110.152 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.23 -36.06 80.87 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.565 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.24 99.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.944 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 p -63.61 -38.23 90.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.128 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.51 -41.24 98.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.293 0.568 . . . . 0.0 110.04 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.536 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.21 -51.74 68.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.578 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.62 -31.05 44.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.218 0.532 . . . . 0.0 110.387 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.16 -45.41 94.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.745 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -88.86 -3.95 58.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.29 25.54 65.8 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 120.109 -1.044 . . . . 0.0 111.815 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.536 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 65.7 m170 -65.62 138.65 58.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.48 121.18 12.62 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.49 129.83 54.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-O 121.027 0.441 . . . . 0.0 110.132 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -121.85 130.5 53.42 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -130.84 113.42 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.3 p -121.78 97.64 5.58 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.831 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.5 92.88 5.45 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -91.52 137.79 2.05 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 122.584 2.189 . . . . 0.0 111.772 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.49 125.73 4.43 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.728 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.3 t30 62.57 29.7 16.99 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.15 0.58 . . . . 0.0 111.505 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' OD1' ' HB2' ' A' ' 61' ' ' SER . 24.2 t70 -66.6 -37.17 84.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.09 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.39 19.05 43.09 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.387 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.412 ' HB2' ' OD1' ' A' ' 59' ' ' ASP . 28.8 t -84.83 -15.02 46.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.987 0.422 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -130.06 -43.7 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 111.229 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.2 p -85.91 95.33 9.43 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.076 0.465 . . . . 0.0 110.683 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -94.6 99.58 11.69 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.8 mt -93.04 -7.24 46.28 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.279 0.561 . . . . 0.0 110.026 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.78 -178.9 26.03 Favored Glycine 0 N--CA 1.43 -1.74 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.989 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.9 m -94.35 119.78 42.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-O 121.124 0.487 . . . . 0.0 111.47 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.5 tt -90.0 114.29 27.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.136 0.493 . . . . 0.0 109.772 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.4 m -102.33 108.53 19.92 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.55 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.3 m120 . . . . . 0 C--N 1.314 -0.963 0 CA-C-O 118.646 -0.693 . . . . 0.0 109.484 178.772 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.473 0.725 0 CA-C-O 120.662 0.268 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.3 102.53 2.71 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.939 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -70.52 123.44 21.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.853 0.358 . . . . 0.0 110.754 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 30' ' ' LYS . . . -84.95 102.2 12.96 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.126 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.422 ' OH ' ' HB3' ' A' ' 7' ' ' ASP . 17.0 t80 -102.78 137.64 40.72 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.871 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 19' ' ' HIS . 35.6 p90 -147.77 125.28 11.7 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.422 ' HB3' ' OH ' ' A' ' 5' ' ' TYR . 1.6 p30 -96.01 147.36 23.78 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.263 0.554 . . . . 0.0 110.768 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 pt -103.24 145.81 11.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.568 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 131.74 62.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.46 114.46 3.79 Favored Glycine 0 N--CA 1.439 -1.151 0 C-N-CA 119.769 -1.205 . . . . 0.0 112.299 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 68.7 m -150.43 126.93 10.8 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.42 -7.21 29.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -112.15 -33.16 6.32 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 118.934 -1.106 . . . . 0.0 111.326 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 11' ' ' SER . 56.8 mmm-85 -140.1 102.12 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -99.79 128.72 45.87 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.06 143.14 14.38 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.753 -1.213 . . . . 0.0 114.721 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.8 mm -108.23 113.74 44.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -112.91 111.65 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.664 -0.415 . . . . 0.0 111.723 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.556 ' HA ' ' CB ' ' A' ' 6' ' ' TYR . 62.9 t-80 -84.54 99.11 10.52 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.478 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -80.5 119.64 23.44 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.2 -1.77 24.82 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.591 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -121.93 134.67 24.79 Favored Pre-proline 0 N--CA 1.448 -0.549 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -71.32 77.92 1.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.962 1.775 . . . . 0.0 112.41 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -72.77 -37.81 67.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.616 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.78 69.87 0.52 Allowed Glycine 0 N--CA 1.437 -1.247 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.53 133.43 50.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.555 0.693 . . . . 0.0 112.138 -173.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -84.08 140.46 31.8 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.759 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -70.15 -25.72 63.59 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.319 175.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 p -151.43 142.98 23.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.883 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 4' ' ' ALA . 29.7 mttm -71.17 -33.75 70.3 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.34 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.99 -33.67 75.89 Favored 'General case' 0 C--O 1.195 -1.774 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.083 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.79 97.57 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.967 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.4 -53.32 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.366 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.518 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 70.7 m-85 -63.71 -45.23 90.94 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.49 -49.61 76.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.83 90.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.0 88.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.057 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 -37.33 86.76 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.142 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.77 87.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.79 99.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.168 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.6 91.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.781 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 49.2 m -61.48 -47.02 87.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.84 -41.97 98.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.63 -51.05 71.03 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.405 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.65 -31.54 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.295 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 42' ' ' SER . 29.1 mtpp -62.41 -42.71 99.64 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.607 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -88.7 -2.9 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 111.115 -177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.41 17.66 66.02 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.51 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -67.43 133.8 50.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -61.44 130.45 46.1 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.395 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.85 114.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -101.08 124.65 47.13 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.121 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -115.59 110.35 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.916 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.9 p -120.25 97.11 5.43 Favored 'General case' 0 N--CA 1.414 -2.241 0 CA-C-O 121.771 0.796 . . . . 0.0 109.727 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.437 HG12 ' HB2' ' A' ' 19' ' ' HIS . 8.0 m -122.94 90.3 50.3 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.537 -176.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 19' ' ' HIS . 16.6 Cg_exo -68.88 142.96 53.49 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.471 2.114 . . . . 0.0 110.868 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.8 164.47 12.73 Favored Glycine 0 CA--C 1.494 -1.26 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -83.57 148.96 26.88 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.274 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -65.53 -77.49 0.06 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.672 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.9 10.53 61.6 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.366 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -96.96 -61.32 1.42 Allowed 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.815 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.0 12.35 26.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.1 p -93.62 1.3 56.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.073 0.463 . . . . 0.0 111.196 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -95.55 104.87 16.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 mp -82.92 132.58 35.15 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.83 40.9 9.13 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.237 -0.982 . . . . 0.0 111.32 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.1 p -84.31 149.27 4.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.68 0.276 . . . . 0.0 110.697 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.3 pt -83.18 132.19 31.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -129.81 -6.26 4.55 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.026 0.441 . . . . 0.0 110.437 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.9 p30 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.34 178.941 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.9 mtm . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.962 0.41 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.15 153.97 8.01 Favored Glycine 0 N--CA 1.437 -1.243 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -69.84 139.62 53.13 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.091 0.472 . . . . 0.0 111.32 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.31 81.88 1.48 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.886 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.17 137.04 43.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.917 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -114.2 117.75 32.05 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.518 174.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 43.5 t0 -91.07 108.15 19.68 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.09 151.5 5.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 121.398 0.618 . . . . 0.0 112.314 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.98 137.77 49.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.353 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.02 114.34 3.67 Favored Glycine 0 N--CA 1.441 -1.023 0 C-N-CA 119.618 -1.277 . . . . 0.0 113.556 -174.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.6 m -151.53 116.28 5.16 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.92 28.83 0.06 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -135.35 -35.08 0.83 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.286 0.565 . . . . 0.0 109.78 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' HG3' ' HB3' ' A' ' 50' ' ' GLU . 62.3 ttt180 -142.0 114.46 8.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' NE1' ' HB1' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -112.42 130.05 56.11 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.864 -174.683 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.12 135.49 10.71 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 119.901 -1.142 . . . . 0.0 114.538 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mm -104.72 110.62 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 13.2 ttt-85 -111.79 119.22 37.88 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -78.42 136.96 37.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 18.1 t70 -79.17 88.49 4.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.156 0.503 . . . . 0.0 110.482 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -90.83 -3.44 57.39 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.699 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -121.1 88.68 45.45 Favored Pre-proline 0 C--N 1.317 -0.834 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -37.09 108.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 124.569 3.513 . . . . 0.0 115.854 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.7 p -94.81 -30.12 14.39 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 171.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.32 -44.04 0.33 Allowed Glycine 0 C--N 1.35 1.308 0 CA-C-N 114.002 -1.454 . . . . 0.0 115.443 173.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -84.33 113.05 20.86 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -152.37 158.0 42.07 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -62.54 -42.6 99.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 p -167.19 157.13 10.96 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.92 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -65.38 -40.82 93.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.544 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.04 -36.23 83.71 Favored 'General case' 0 C--O 1.199 -1.582 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.639 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.81 71.34 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.63 0.252 . . . . 0.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.11 -55.39 8.3 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.312 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -64.91 -43.0 94.26 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.85 -54.48 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.912 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.78 83.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.97 83.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.51 -37.89 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.412 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 121.279 0.562 . . . . 0.0 110.229 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.57 ' HB1' ' NE1' ' A' ' 15' ' ' TRP . . . -64.38 -43.93 92.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.348 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.22 94.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.51 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 19.9 p -64.3 -41.55 96.8 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.652 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.942 0.401 . . . . 0.0 110.182 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.04 71.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.269 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.2 tt -66.57 -34.9 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.543 -176.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 42' ' ' SER . 62.1 mtpt -61.32 -39.54 90.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.555 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -89.72 -0.39 57.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.749 0.309 . . . . 0.0 111.657 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.65 76.17 Favored Glycine 0 CA--C 1.498 -1.03 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.377 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 45.7 m170 -65.78 145.12 56.37 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -60.93 107.84 0.77 Allowed 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.252 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 49' ' ' HIS . 61.6 t -100.36 108.42 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 121.155 0.503 . . . . 0.0 110.377 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -110.64 119.43 39.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.796 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -106.2 110.88 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.545 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 1.8 m -117.59 98.8 6.57 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -177.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 p -111.27 87.78 7.93 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.589 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.545 ' HD3' ' O ' ' A' ' 54' ' ' THR . 5.7 Cg_exo -76.91 160.16 34.01 Favored 'Trans proline' 0 C--O 1.245 0.87 0 C-N-CA 123.206 2.604 . . . . 0.0 110.761 175.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.64 57.16 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.641 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -154.82 127.04 7.78 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.215 0.531 . . . . 0.0 110.241 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -81.54 135.14 35.58 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.14 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.4 -13.44 11.03 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.284 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.0 t -70.82 99.65 1.77 Allowed 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 67.67 -67.0 0.19 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.582 0.753 . . . . 0.0 110.67 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.483 ' OG1' ' HG ' ' A' ' 65' ' ' LEU . 10.1 t -95.65 140.55 30.31 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 121.131 0.491 . . . . 0.0 110.473 178.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -109.9 22.26 15.86 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.11 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.483 ' HG ' ' OG1' ' A' ' 63' ' ' THR . 98.4 mt -62.88 139.59 58.74 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.31 114.93 6.67 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.626 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.13 122.89 42.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.101 0.476 . . . . 0.0 111.459 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.5 tp -90.6 120.61 39.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.829 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -100.79 116.31 32.38 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.707 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.255 1.349 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.236 -177.94 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.671 0.272 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.14 -81.83 1.59 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.44 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -71.88 142.14 49.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.38 89.01 7.69 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 85.7 t80 -113.3 134.52 54.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.261 0.553 . . . . 0.0 111.632 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.45 131.12 57.03 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.5 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.84 116.64 29.07 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 HD13 ' A' ' 17' ' ' ILE . 2.9 mp -106.38 133.03 52.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-O 120.927 0.394 . . . . 0.0 110.278 -176.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -103.83 129.45 55.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.56 114.56 3.52 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.891 -1.147 . . . . 0.0 112.905 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -151.6 140.3 20.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.99 -2.51 15.57 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -108.13 -33.36 7.18 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.377 175.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -143.0 125.09 15.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.955 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.42 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 89.3 t90 -118.04 134.28 55.12 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.69 149.25 21.12 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 119.009 -1.567 . . . . 0.0 116.374 -173.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.448 HD13 HG23 ' A' ' 8' ' ' ILE . 46.7 mm -115.92 117.49 55.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 123.596 0.758 . . . . 0.0 109.212 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -116.41 120.57 39.24 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.571 0.224 . . . . 0.0 110.919 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.64 118.75 24.05 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 120.244 -0.583 . . . . 0.0 109.91 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.87 127.08 30.09 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.4 -2.01 37.26 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.441 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -127.71 172.91 6.04 Favored Pre-proline 0 C--N 1.313 -0.984 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.479 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.13 36.71 0.09 OUTLIER 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 123.743 2.962 . . . . 0.0 114.974 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.7 m -101.54 -12.75 18.26 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.546 0.688 . . . . 0.0 109.315 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.41 62.47 2.26 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.305 -0.862 . . . . 0.0 114.111 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -114.7 149.78 36.26 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.417 ' HB3' ' CD1' ' A' ' 5' ' ' TYR . 24.4 p90 -148.56 154.17 39.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -70.09 -41.65 73.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.926 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -148.85 142.38 25.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.973 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.43 -39.0 91.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.25 -36.48 84.25 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.332 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.82 87.84 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.115 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.74 -58.8 3.08 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.668 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -66.36 -47.5 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.07 -48.03 82.01 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.339 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.89 91.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.914 0.387 . . . . 0.0 110.691 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.94 71.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.166 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -66.3 -35.85 81.44 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 111.003 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.4 77.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.288 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.18 -36.38 83.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.557 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . . . -59.49 -41.79 90.65 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.757 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -60.39 -46.33 90.38 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.644 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.82 -45.02 91.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.473 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.45 68.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.191 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 41' ' ' ALA . 19.8 tt -68.75 -36.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.284 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -62.04 -39.89 93.87 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.957 0.408 . . . . 0.0 110.703 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -85.95 -9.76 56.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.131 -176.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.45 22.81 57.93 Favored Glycine 0 CA--C 1.501 -0.843 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.762 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -67.28 142.37 56.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.09 137.4 58.11 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 p -112.85 131.28 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.85 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.96 114.17 21.14 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.71 111.37 35.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -117.75 95.42 4.93 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-O 121.482 0.658 . . . . 0.0 109.932 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.6 m -125.32 84.87 59.15 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.942 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -74.54 143.29 30.54 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.174 1.916 . . . . 0.0 112.596 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.68 -22.29 6.75 Favored Glycine 0 CA--C 1.501 -0.803 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.74 -164.79 1.16 Allowed 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.425 -0.888 . . . . 0.0 108.789 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.58 105.28 3.06 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.97 -34.88 88.42 Favored Glycine 0 CA--C 1.496 -1.098 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.749 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 63' ' ' THR . 27.5 m -78.23 -4.98 50.5 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.625 -0.288 . . . . 0.0 110.232 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 71.65 -31.78 0.23 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.463 1.105 . . . . 0.0 111.099 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 61' ' ' SER . 26.9 m -88.05 123.81 33.11 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.274 -178.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -82.19 127.72 33.44 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.1 mt -88.44 -8.13 55.45 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.35 24.88 60.19 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.219 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.5 m -89.16 143.45 11.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.058 0.456 . . . . 0.0 111.502 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.8 tp -85.93 105.93 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.479 0.657 . . . . 0.0 109.723 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.9 m -96.16 84.14 3.74 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.586 0.708 . . . . 0.0 110.591 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.888 178.222 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.472 0.647 0 CA-C-O 120.885 0.374 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.56 166.9 26.42 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.56 130.58 43.48 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.49 105.13 17.59 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.048 0.451 . . . . 0.0 110.756 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -98.23 140.56 32.34 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.922 0.868 . . . . 0.0 111.587 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -124.69 117.94 25.35 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -95.5 108.38 20.61 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-O 121.227 0.537 . . . . 0.0 109.553 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 pp -90.05 145.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.952 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.26 129.05 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.37 114.17 3.73 Favored Glycine 0 CA--C 1.492 -1.353 0 C-N-CA 119.603 -1.284 . . . . 0.0 112.658 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.655 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.7 m -154.26 126.4 7.83 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.332 0.653 . . . . 0.0 109.618 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.04 -3.33 9.85 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.81 -30.13 7.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.518 0.675 . . . . 0.0 110.242 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 11' ' ' SER . 8.1 tpt180 -140.17 101.59 4.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.654 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.46 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -107.12 130.03 54.75 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.868 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.13 141.02 11.89 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.684 -1.246 . . . . 0.0 114.268 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.87 109.74 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 18' ' ' ARG . 13.3 ttp180 -112.29 114.65 27.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 111.451 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -81.13 93.29 6.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.168 0.509 . . . . 0.0 111.72 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.91 113.02 24.73 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -59.17 -51.28 70.69 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.63 -171.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t0 179.7 68.82 0.14 Allowed Pre-proline 0 C--O 1.245 0.84 0 CA-C-O 121.092 0.472 . . . . 0.0 112.025 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -95.63 -5.46 1.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.649 2.233 . . . . 0.0 111.536 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -110.35 -32.54 6.91 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.595 -174.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.47 -19.96 3.63 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 121.468 -0.396 . . . . 0.0 113.781 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -114.61 149.58 36.39 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.593 0.235 . . . . 0.0 111.489 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -153.15 136.56 15.84 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.5 m -70.59 -40.52 73.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.17 0.51 . . . . 0.0 110.669 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t 176.55 143.33 0.08 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.129 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -67.05 -45.38 77.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.359 . . . . 0.0 110.445 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.12 -37.91 86.88 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.85 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.26 77.75 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 120.855 0.359 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.01 -57.42 5.48 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.884 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -65.96 -42.31 90.09 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.57 -52.9 63.59 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.4 93.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.587 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -50.0 75.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.018 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.06 -39.88 90.46 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.926 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.97 65.84 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.127 0.489 . . . . 0.0 111.216 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.21 88.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.775 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.86 88.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.914 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.7 m -61.21 -41.95 97.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -60.76 -47.13 87.7 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.922 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.68 -51.08 70.91 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.966 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.02 -40.48 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -61.97 -39.77 93.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.927 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.85 -4.41 59.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.731 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.86 11.31 70.74 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.717 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.468 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 50.9 m170 -69.5 134.16 48.56 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.55 133.27 52.02 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.319 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.3 p -113.6 132.36 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-O 121.128 0.489 . . . . 0.0 110.31 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.35 138.61 40.52 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 tt -126.86 110.64 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.438 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -128.49 95.18 4.06 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.159 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.02 94.65 23.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.858 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -65.99 141.74 65.57 Favored 'Trans proline' 0 C--O 1.242 0.711 0 C-N-CA 122.658 2.239 . . . . 0.0 111.604 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.82 -171.1 42.6 Favored Glycine 0 N--CA 1.435 -1.376 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.191 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -74.49 -74.24 0.2 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.761 0.315 . . . . 0.0 110.604 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t70 70.33 93.81 0.08 Allowed 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.063 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.37 -131.15 2.39 Favored Glycine 0 N--CA 1.438 -1.179 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.704 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.8 m -88.67 -4.1 58.63 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -81.47 -6.7 59.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.031 0.443 . . . . 0.0 111.175 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.5 m -93.26 128.6 39.32 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.971 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -68.44 129.51 40.15 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.612 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -87.34 -18.07 30.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.324 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.41 158.68 18.2 Favored Glycine 0 C--O 1.24 0.483 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.722 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.4 146.62 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -82.31 101.32 6.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.2 p -139.54 36.19 2.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.703 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.091 -0.956 . . . . 0.0 111.053 -176.449 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtm . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.731 0.301 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.12 8.44 85.55 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.228 -0.51 . . . . 0.0 112.517 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.35 115.31 8.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.4 81.43 1.67 Allowed 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.228 0.537 . . . . 0.0 110.175 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -124.32 134.37 53.2 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.88 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.406 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 31.2 p90 -127.29 134.82 49.98 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.845 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 53.6 t0 -86.57 108.0 18.39 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -90.07 140.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.18 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.5 t -112.19 129.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.86 114.83 3.68 Favored Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.686 -1.245 . . . . 0.0 112.41 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.55 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 43.1 m -150.02 135.98 18.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -72.74 -7.07 48.77 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -109.03 -29.66 8.45 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.216 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' A' ' 11' ' ' SER . 40.2 ttt180 -139.94 115.03 9.71 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 82.3 t90 -110.66 128.52 55.73 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -137.97 140.7 11.42 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 119.505 -1.331 . . . . 0.0 115.213 -174.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 47.9 mm -103.72 110.37 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HG2' HH11 ' A' ' 18' ' ' ARG . 0.0 OUTLIER -104.03 112.48 25.48 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.459 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -78.5 123.86 27.52 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -89.79 108.34 19.64 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -92.4 -27.69 17.34 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.756 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.78 116.54 62.47 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -44.99 118.54 2.0 Favored 'Trans proline' 0 C--O 1.239 0.535 0 C-N-CA 123.879 3.053 . . . . 0.0 114.974 -172.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -99.88 -29.35 12.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.144 173.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.25 0.04 81.63 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.253 -0.885 . . . . 0.0 114.647 174.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -99.15 105.68 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 117.723 0.762 . . . . 0.0 112.698 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -153.99 129.02 9.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.081 174.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -67.57 -40.55 84.89 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -166.1 150.68 8.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.53 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -64.59 -48.33 75.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.47 -35.62 79.54 Favored 'General case' 0 C--O 1.192 -1.924 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 120.745 0.307 . . . . 0.0 110.646 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.27 -55.16 11.32 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 87.8 m-85 -63.94 -45.01 91.13 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.77 -53.63 55.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.466 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.16 86.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.323 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -51.42 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.507 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.44 -35.29 79.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.938 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.39 82.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.033 0.445 . . . . 0.0 110.16 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.27 83.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.352 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -59.98 -41.5 92.14 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 m -61.11 -46.85 88.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.477 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -63.31 -45.0 93.4 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.162 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -61.6 -52.29 64.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.493 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 41' ' ' ALA . 11.0 tp -70.37 -39.43 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.711 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.33 -35.72 79.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -86.08 -13.51 47.09 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.843 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.42 18.98 56.17 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 119.95 -1.119 . . . . 0.0 111.808 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.492 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 61.6 m170 -66.27 140.14 58.12 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.79 125.02 21.75 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.427 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 p -106.29 123.83 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 22.0 mmt180 -124.39 134.87 53.0 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.108 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -134.04 115.55 21.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.9 p -122.11 99.92 6.69 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.47 0.652 . . . . 0.0 111.399 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -115.52 92.85 34.57 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.683 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -88.36 167.61 6.38 Favored 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.935 2.423 . . . . 0.0 112.156 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.58 -81.09 0.16 Allowed Glycine 0 C--O 1.22 -0.757 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.707 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -128.43 13.04 6.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.468 0.651 . . . . 0.0 111.025 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -88.36 142.43 27.73 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.031 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.75 -23.25 2.32 Favored Glycine 0 C--N 1.317 -0.472 0 C-N-CA 119.952 -1.118 . . . . 0.0 113.306 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.9 m -66.85 101.56 0.84 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.104 0.478 . . . . 0.0 111.964 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 56.09 75.76 0.32 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.675 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.7 p -91.73 113.31 25.54 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.52 103.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.512 0.672 . . . . 0.0 111.645 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.2 tp -121.39 4.2 10.24 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.61 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.43 76.14 1.11 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.4 m -83.18 140.71 15.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.133 0.492 . . . . 0.0 111.511 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.1 tt -88.14 122.41 39.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.606 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.9 t -102.96 116.28 32.23 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.799 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 . . . . . 0 C--N 1.316 -0.858 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.938 -178.828 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.651 0.262 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.54 -119.77 1.64 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.45 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -65.45 106.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.384 0.612 . . . . 0.0 111.085 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.8 115.28 5.15 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.17 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 7' ' ' ASP . 48.8 t80 -115.14 138.71 50.59 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.212 0.53 . . . . 0.0 111.82 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -118.43 115.38 24.53 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.22 175.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 18' ' ' ARG . 22.5 t70 -92.54 120.05 32.61 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.732 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 pt -107.99 151.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.447 0.641 . . . . 0.0 112.426 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -106.96 135.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 116.79 4.38 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.292 -1.432 . . . . 0.0 114.514 -172.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.822 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 31.3 t -156.48 131.61 9.19 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.72 -9.96 59.06 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -104.0 -30.38 10.31 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.357 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.822 ' O ' ' HB3' ' A' ' 11' ' ' SER . 56.1 mtp180 -140.41 111.47 7.07 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.168 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.457 ' N ' ' HD2' ' A' ' 49' ' ' HIS . 2.1 t-105 -127.24 126.31 42.5 Favored 'General case' 0 C--N 1.267 -2.983 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.8 142.16 13.49 Favored Glycine 0 N--CA 1.424 -2.158 0 CA-C-N 115.221 -0.899 . . . . 0.0 113.126 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -102.15 109.54 26.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' HA ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.41 123.01 43.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.761 0.791 . . . . 0.0 112.081 -176.661 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -72.65 136.31 45.64 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.823 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 19.4 t0 -76.21 104.14 6.59 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -77.4 -7.7 56.53 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.63 -173.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.28 73.16 64.65 Favored Pre-proline 0 C--N 1.308 -1.237 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 170.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -43.0 100.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 124.093 3.195 . . . . 0.0 114.693 -171.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.0 p -65.7 -38.04 88.11 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.228 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.47 3.62 86.5 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.644 -0.788 . . . . 0.0 113.125 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.1 96.24 9.81 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 119.951 -0.699 . . . . 0.0 111.064 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -152.11 135.35 15.87 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.125 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -63.93 -40.15 95.78 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 121.511 0.672 . . . . 0.0 109.956 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 m -158.07 150.62 22.4 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.073 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.74 -47.07 85.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.658 0.266 . . . . 0.0 110.931 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.6 -31.86 72.82 Favored 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.24 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.45 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 120.886 0.374 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.73 -52.17 27.8 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.269 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -66.53 -44.28 82.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.9 -50.45 73.99 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.8 0.333 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.05 87.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.129 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -50.16 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.783 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.7 p -66.52 -39.74 88.78 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.693 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.81 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.334 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.38 90.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.55 94.71 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.466 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.5 m -62.81 -45.62 91.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.409 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.23 -43.5 97.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.333 0.587 . . . . 0.0 110.655 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' HB1' ' CG ' ' A' ' 49' ' ' HIS . . . -62.62 -46.72 86.98 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.52 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.71 -31.33 51.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.62 -31.9 72.83 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.317 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -84.6 -7.75 59.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.321 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.77 21.33 56.19 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.419 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.488 ' CG ' ' HB1' ' A' ' 44' ' ' ALA . 1.1 p-80 -66.5 147.33 53.44 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.66 133.78 50.93 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.361 -0.936 . . . . 0.0 108.696 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 p -108.05 139.64 29.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.543 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 52' ' ' ARG . 1.8 tpm_? -136.94 121.77 18.72 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.745 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -110.3 109.89 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -123.23 97.28 5.35 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-O 121.518 0.675 . . . . 0.0 110.421 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.15 82.63 51.49 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.578 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -76.5 152.61 34.14 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 122.355 2.037 . . . . 0.0 110.81 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.73 160.99 53.87 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.726 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -78.51 105.68 9.95 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.85 0.19 54.61 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.716 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.15 89.46 0.25 Allowed Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 m -71.2 -7.8 49.24 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -88.15 -12.53 43.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.05 0.452 . . . . 0.0 110.225 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.7 p -94.74 1.82 55.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.431 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -88.92 -2.37 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.661 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 mp -87.6 103.59 15.7 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.482 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.22 141.54 5.78 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.688 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.7 t -99.69 -76.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.748 0.309 . . . . 0.0 110.402 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 98.2 mt -147.27 -64.51 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.794 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -94.36 -8.6 38.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.622 0.725 . . . . 0.0 109.96 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.02 178.398 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.05 -15.82 6.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.028 -1.082 . . . . 0.0 112.64 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -65.22 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.967 0.413 . . . . 0.0 110.744 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.78 144.08 32.38 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.14 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 27' ' ' TYR . 27.8 t80 -110.91 120.39 42.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -107.59 115.29 29.89 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -92.1 107.83 19.49 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.726 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.37 136.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 -177.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.89 128.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 113.75 3.33 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.863 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.595 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.1 m -152.94 131.75 12.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.08 10.16 0.33 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.6 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 6.4 p30 -137.68 -30.12 0.84 Allowed 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.642 173.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.6 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 47.4 mmm-85 -122.59 100.75 7.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.538 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 87.7 t90 -106.83 128.21 54.07 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -144.31 150.42 22.49 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.522 -174.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.538 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 43.5 mm -116.13 123.2 71.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.445 ' HA ' HG23 ' A' ' 54' ' ' THR . 69.0 ttp85 -109.54 116.1 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.955 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -81.42 106.37 13.33 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -96.0 102.62 14.43 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -73.12 -25.29 60.79 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 120.847 0.356 . . . . 0.0 111.835 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 8.6 p-10 -123.51 110.79 30.09 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 175.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 22' ' ' ASP . 6.7 Cg_endo -49.5 105.53 0.1 OUTLIER 'Trans proline' 0 C--O 1.239 0.526 0 C-N-CA 123.239 2.626 . . . . 0.0 114.767 -172.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 p -84.09 -22.83 31.02 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.079 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.0 96.45 0.18 Allowed Glycine 0 N--CA 1.421 -2.358 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -59.52 113.65 2.32 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.878 0.847 . . . . 0.0 111.151 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 6.4 t80 -91.05 151.0 21.2 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.34 -176.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -62.59 -41.22 98.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -154.11 148.38 25.95 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.231 -0.588 . . . . 0.0 112.172 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.86 -39.58 83.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.984 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.69 -35.65 81.38 Favored 'General case' 0 C--O 1.196 -1.734 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.49 78.82 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.168 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.22 -51.64 43.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.336 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -68.76 -41.75 78.42 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.23 -52.61 64.83 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.832 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -58.4 -52.54 65.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.583 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -66.78 -36.27 82.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.424 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.51 81.45 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.34 0.59 . . . . 0.0 109.747 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.16 83.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.615 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.88 97.6 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.821 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -60.98 -45.18 95.82 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.771 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.62 -47.32 84.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.73 67.03 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.867 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.78 -44.33 96.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.325 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.93 -34.82 76.78 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.027 0.442 . . . . 0.0 111.62 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 3.7 m-85 -86.84 -4.1 59.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.2 18.83 77.88 Favored Glycine 0 CA--C 1.502 -0.72 0 C-N-CA 119.948 -1.12 . . . . 0.0 112.002 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 3.5 m-70 -64.75 139.83 58.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.45 130.89 48.82 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.558 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.2 t -100.15 126.01 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -133.15 112.95 12.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -108.65 115.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 18' ' ' ARG . 7.8 t -112.3 97.24 6.5 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-O 122.382 1.087 . . . . 0.0 111.913 -177.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m -103.96 112.61 65.59 Favored Pre-proline 0 C--N 1.304 -1.373 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.077 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.32 136.95 63.98 Favored 'Trans proline' 0 C--O 1.243 0.74 0 C-N-CA 122.833 2.355 . . . . 0.0 114.01 -173.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -140.63 -34.64 0.12 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.148 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -81.34 176.38 9.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -150.44 108.41 3.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.184 0.516 . . . . 0.0 111.534 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -143.14 -52.29 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.584 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.5 p -175.21 -35.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.278 0.561 . . . . 0.0 109.506 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 68.72 34.33 3.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.154 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.2 m -87.77 118.94 27.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.802 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -160.0 -43.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.899 0.381 . . . . 0.0 111.411 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.19 146.78 45.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.173 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.77 158.27 40.74 Favored Glycine 0 C--N 1.321 -0.3 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.765 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.36 130.61 37.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-O 120.986 0.422 . . . . 0.0 111.014 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 68' ' ' ILE . 3.6 mp -90.69 114.1 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.4 m -133.63 -24.63 1.74 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.525 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 C--N 1.317 -0.827 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.979 179.387 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.25 -146.35 8.89 Favored Glycine 0 N--CA 1.438 -1.171 0 C-N-CA 120.243 -0.979 . . . . 0.0 113.465 -177.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -66.09 136.36 55.88 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 122.95 0.5 . . . . 0.0 111.867 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.71 82.91 3.97 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 174.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -106.81 140.51 39.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 112.216 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -112.9 114.96 27.69 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -91.85 110.03 21.37 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.749 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 pt -100.52 145.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-O 121.496 0.665 . . . . 0.0 112.045 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.5 m -110.23 136.23 46.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.08 115.53 4.16 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 119.468 -1.349 . . . . 0.0 113.965 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.494 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.5 m -147.67 117.22 7.03 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -71.44 28.22 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -137.33 -34.98 0.69 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.0 ttt180 -142.6 112.91 7.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 128.88 56.02 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.323 -174.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.09 146.57 17.55 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.462 -0.875 . . . . 0.0 114.244 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.46 119.33 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -106.7 135.73 47.73 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 120.569 0.223 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 21' ' ' ASP . 56.6 t-80 -80.69 109.63 15.41 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.622 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -90.36 106.68 18.66 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.031 0.443 . . . . 0.0 110.085 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 1.3 p30 -121.09 5.34 10.35 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.189 0.518 . . . . 0.0 111.082 -177.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -109.84 167.52 8.99 Favored Pre-proline 0 N--CA 1.435 -1.207 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.156 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -71.5 39.12 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 123.178 2.585 . . . . 0.0 115.069 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.4 p -109.5 -38.3 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.37 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.91 89.26 0.84 Allowed Glycine 0 N--CA 1.438 -1.223 0 C-N-CA 120.07 -1.062 . . . . 0.0 113.511 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.31 144.55 29.62 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -152.83 141.85 21.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.249 -175.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -66.55 -40.5 89.08 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -140.68 142.88 34.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.902 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -67.34 -37.66 83.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.778 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.24 -35.76 81.39 Favored 'General case' 0 C--O 1.191 -1.982 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.49 71.85 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.108 0.255 . . . . 0.0 110.5 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.96 -50.88 53.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.075 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -66.77 -42.1 86.64 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.953 0.406 . . . . 0.0 110.591 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -55.35 -54.58 41.78 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.868 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.6 75.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.505 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.89 84.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.42 -37.89 86.2 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.12 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.95 79.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.606 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.365 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.27 90.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.383 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -61.46 -44.95 96.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.798 0.332 . . . . 0.0 110.186 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -62.77 -42.53 99.73 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -52.08 66.45 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.609 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.06 -42.72 96.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.095 0.474 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.97 -43.25 91.32 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.073 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.41 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 3.2 t80 -88.81 -2.84 58.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.336 -176.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 7.39 66.17 Favored Glycine 0 CA--C 1.505 -0.578 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.501 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.41 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 28.8 m170 -67.36 136.54 54.94 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 33.3 tt0 -62.4 136.95 58.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.655 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.21 134.21 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.54 117.7 22.57 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.2 mt -102.03 115.1 43.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.2 m -116.48 95.31 4.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-O 121.812 0.815 . . . . 0.0 110.721 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.94 146.36 52.07 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.747 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.89 143.77 23.62 Favored 'Trans proline' 0 C--O 1.239 0.526 0 C-N-CA 122.265 1.977 . . . . 0.0 111.882 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.26 -51.96 0.16 Allowed Glycine 0 CA--C 1.5 -0.85 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.673 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -94.27 170.27 9.63 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.724 0.297 . . . . 0.0 110.344 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -78.85 122.56 26.23 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.216 0.531 . . . . 0.0 111.595 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -120.79 36.27 3.41 Favored Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 110.791 -0.923 . . . . 0.0 110.791 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -81.45 -7.23 59.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 -177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -91.4 12.18 21.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.373 0.606 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 t -146.09 149.8 34.73 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.266 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -103.09 -0.39 30.76 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 52.66 -160.73 0.11 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.904 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.25 166.49 54.34 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.52 136.19 23.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.568 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -90.27 -7.12 10.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.684 0.754 . . . . 0.0 109.715 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.1 p -88.39 157.47 18.69 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.977 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 119.148 -0.453 . . . . 0.0 110.887 -179.791 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.826 0.346 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.1 -145.41 16.95 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.653 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -66.66 136.98 56.36 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.629 0.372 . . . . 0.0 111.214 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.71 101.58 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.28 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -107.51 137.96 44.59 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.201 0.524 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.442 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 12.9 p90 -134.19 127.56 32.22 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.736 175.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.645 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.7 t70 -87.03 108.74 18.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.41 0.624 . . . . 0.0 110.359 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.7 pt -86.86 154.63 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.0 129.24 65.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.21 113.91 3.27 Favored Glycine 0 N--CA 1.431 -1.65 0 C-N-CA 119.589 -1.291 . . . . 0.0 112.743 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 55.3 m -153.87 144.84 22.73 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.14 -40.47 97.68 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -97.04 -28.64 14.06 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.491 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 11' ' ' SER . 39.4 mmm-85 -122.41 94.47 4.3 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 77.1 t90 -107.26 128.32 54.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.38 150.42 22.35 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.572 -1.299 . . . . 0.0 113.683 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.524 HD11 ' CZ3' ' A' ' 15' ' ' TRP . 3.9 mp -103.61 121.46 55.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.645 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 10.7 ttt-85 -115.65 111.13 20.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.106 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 8.0 t60 -77.37 127.06 31.91 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.509 ' CG ' HH12 ' A' ' 18' ' ' ARG . 4.8 t0 -84.48 119.29 24.98 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -84.7 -10.91 56.84 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.395 0.617 . . . . 0.0 110.754 -174.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -129.75 91.06 41.44 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.92 136.58 43.89 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.88 2.386 . . . . 0.0 113.013 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.9 p -76.8 -14.79 59.88 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.837 -177.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.36 -52.27 4.68 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.349 -0.842 . . . . 0.0 112.804 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -83.82 112.31 19.99 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 121.563 0.697 . . . . 0.0 112.174 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 10.8 t80 -155.91 132.78 10.51 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 172.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -172.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -162.79 145.96 11.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.11 -0.369 . . . . 0.0 111.328 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.57 -33.21 73.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.019 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.58 -37.83 88.83 Favored 'General case' 0 C--O 1.202 -1.434 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.75 84.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 120.625 0.25 . . . . 0.0 111.094 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . . . -67.63 -55.29 13.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.311 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.22 -43.4 86.77 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.76 -53.07 62.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 123.176 0.297 . . . . 0.0 110.98 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.8 83.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.626 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.74 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.6 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.6 p -66.37 -37.01 84.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.743 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.79 -49.47 76.23 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.731 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.04 82.65 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.585 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -64.16 -41.57 97.09 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.567 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 65.4 p -63.72 -38.81 92.52 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.808 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -61.91 -47.77 83.43 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.3 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.98 -51.52 68.92 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.119 -176.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.01 -42.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 120.955 0.407 . . . . 0.0 110.912 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.77 -37.46 84.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.545 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -88.16 -9.05 54.37 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.15 59.14 Favored Glycine 0 CA--C 1.501 -0.836 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.587 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.543 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 57.6 m170 -67.68 142.3 56.4 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.04 130.48 46.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.13 125.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.951 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 52' ' ' ARG . 30.4 mmt180 -125.85 141.82 51.8 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.56 110.4 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -124.34 98.43 5.75 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.624 0.726 . . . . 0.0 110.372 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 19' ' ' HIS . 14.8 m -119.78 78.26 22.55 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.737 -178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -76.13 157.72 37.96 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.537 2.158 . . . . 0.0 112.413 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.76 116.02 2.38 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.11 29.69 9.8 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.735 0.778 . . . . 0.0 109.881 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -136.06 -54.55 0.76 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.08 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.66 9.64 74.63 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.557 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.2 m 63.72 15.35 8.92 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.425 0.29 . . . . 0.0 111.697 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 60.4 41.68 15.74 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.601 0.715 . . . . 0.0 110.158 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 t -82.45 156.22 24.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.369 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -81.69 162.43 23.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.709 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mp -96.25 8.01 45.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.723 -176.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.17 123.11 8.31 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.417 -0.896 . . . . 0.0 111.553 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 m -90.45 105.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.369 0.604 . . . . 0.0 111.598 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.0 mp -86.24 -44.34 16.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.562 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.4 m -92.2 105.25 17.51 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.786 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.419 179.773 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.6 mtm . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.79 7.88 21.88 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.939 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -67.25 101.69 0.95 Allowed 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.468 0.651 . . . . 0.0 111.581 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.75 99.82 2.47 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.728 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -101.55 131.3 47.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.247 0.546 . . . . 0.0 111.585 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.64 119.58 39.94 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 15.4 t70 -92.28 108.48 19.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.227 0.537 . . . . 0.0 109.594 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.641 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -96.15 141.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.861 -177.555 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.1 129.42 75.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.26 112.66 3.22 Favored Glycine 0 N--CA 1.432 -1.626 0 C-N-CA 119.62 -1.276 . . . . 0.0 111.642 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.603 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.8 m -132.65 143.64 49.8 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.806 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 17.9 m-20 -69.81 -15.77 63.17 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.553 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 19.8 m120 -117.08 -33.09 4.82 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.852 -1.139 . . . . 0.0 111.788 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.603 ' O ' ' HB2' ' A' ' 11' ' ' SER . 44.9 mmm-85 -137.66 95.75 3.11 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.87 44.95 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.66 145.89 15.96 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.892 -172.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.5 mt -120.75 102.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.4 ptt85 -112.57 138.96 48.59 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.847 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -78.15 115.37 17.83 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -63.73 119.43 9.92 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -91.1 -4.74 56.0 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.511 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -141.97 86.14 10.64 Favored Pre-proline 0 C--N 1.308 -1.239 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 173.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.49 135.09 40.21 Favored 'Trans proline' 0 CA--C 1.51 -0.704 0 C-N-CA 122.758 2.305 . . . . 0.0 113.417 -171.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.3 p -65.64 -31.33 72.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.611 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.64 -27.04 22.26 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.7 -0.682 . . . . 0.0 113.089 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.91 106.99 19.41 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.281 0.562 . . . . 0.0 111.54 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -153.2 128.9 10.1 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.373 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -69.94 -41.78 74.11 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.004 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m 178.57 -177.04 0.24 Allowed 'General case' 0 C--O 1.243 0.743 0 C-N-CA 125.014 1.326 . . . . 0.0 108.733 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.62 -16.25 62.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.096 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.12 -50.57 69.95 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.49 91.33 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -58.91 3.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.0 -52.31 66.31 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.538 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.98 92.86 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.27 70.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -67.46 -36.14 80.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.563 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.36 -48.73 79.94 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.321 0.581 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.55 84.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.04 93.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.124 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -62.05 -42.2 98.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.41 -45.13 92.41 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.259 0.552 . . . . 0.0 110.298 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.81 -50.67 71.4 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.751 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.65 -43.25 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.7 -38.98 89.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.763 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.508 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 10.8 t80 -83.84 -4.32 58.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.096 0.474 . . . . 0.0 111.326 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.22 23.43 56.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.806 ' CE1' ' HA ' ' A' ' 12' ' ' ASP . 34.4 m170 -65.74 129.57 40.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.25 144.38 55.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -112.11 139.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-O 121.475 0.655 . . . . 0.0 111.09 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.39 113.94 18.85 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.8 tp -105.07 110.65 31.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.357 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -118.25 94.6 4.55 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-O 121.562 0.696 . . . . 0.0 111.257 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.8 90.2 46.21 Favored Pre-proline 0 C--N 1.305 -1.336 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.532 173.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.08 145.35 73.0 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.863 2.376 . . . . 0.0 112.537 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.33 -53.5 0.19 Allowed Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -89.08 163.4 15.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.22 78.32 9.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.927 0.394 . . . . 0.0 111.331 -176.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.4 11.21 46.43 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.668 -0.697 . . . . 0.0 113.552 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 m 63.39 73.12 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.351 0.596 . . . . 0.0 111.301 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 67.06 21.22 10.24 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.302 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.6 p -92.22 -8.39 45.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.507 0.67 . . . . 0.0 109.929 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -89.99 120.89 31.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.751 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.23 132.72 43.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.999 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.16 167.53 42.99 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.61 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 p -90.66 117.51 34.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.163 0.506 . . . . 0.0 110.237 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.79 106.63 16.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-O 121.529 0.68 . . . . 0.0 110.483 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.1 t -97.5 148.62 23.05 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.569 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.417 -179.514 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.2 ttm . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.41 31.08 57.51 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.725 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -65.66 142.46 58.03 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.355 0.262 . . . . 0.0 110.381 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.58 92.73 5.36 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.405 0.622 . . . . 0.0 110.053 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -116.17 127.59 54.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.224 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -100.23 115.86 30.88 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 33.7 t70 -93.34 107.07 18.96 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.704 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -82.02 155.09 4.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.693 -175.485 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.07 132.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.15 111.52 3.37 Favored Glycine 0 CA--C 1.491 -1.445 0 C-N-CA 118.474 -1.822 . . . . 0.0 113.231 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.712 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 60.0 m -156.92 124.98 5.55 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 113.886 -1.157 . . . . 0.0 108.187 178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.77 -40.38 79.73 Favored 'General case' 0 C--O 1.185 -2.341 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.513 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 27.9 p-10 -91.44 -16.98 26.49 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.499 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.712 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.4 ttt180 -140.0 97.9 3.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.508 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 30.3 t-105 -103.03 131.2 50.18 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.582 -0.847 . . . . 0.0 112.51 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.13 132.88 9.59 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.778 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.8 mt -108.72 113.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 68.9 ttp85 -114.24 130.42 56.63 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.883 0.373 . . . . 0.0 111.291 -176.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -80.81 119.53 23.51 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -86.29 101.44 13.07 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.46 -4.98 59.01 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.188 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -124.98 84.19 59.25 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -48.66 120.06 4.87 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.703 2.269 . . . . 0.0 112.883 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.9 p -77.59 -18.18 57.1 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.509 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.36 -31.01 7.07 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.883 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -94.83 108.37 20.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.283 0.563 . . . . 0.0 111.391 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -152.21 138.92 18.8 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.646 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -64.33 -41.06 96.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.399 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.9 t 174.39 157.74 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.32 -49.71 75.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 110.642 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.13 -35.65 80.2 Favored 'General case' 0 C--O 1.195 -1.798 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.01 89.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.13 -51.19 48.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.282 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -65.38 -42.26 92.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.718 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -57.09 -54.08 50.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.43 84.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.442 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.84 84.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.388 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.74 -37.05 83.87 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.691 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.7 75.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.123 0.487 . . . . 0.0 110.488 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.87 89.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.932 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.25 96.18 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 t -63.1 -41.56 99.4 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.487 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 8.2 t30 -60.36 -46.51 89.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' CA ' ' HB2' ' A' ' 49' ' ' HIS . . . -61.62 -51.33 68.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.01 -41.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.99 -39.84 75.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.487 ' HD1' ' O ' ' A' ' 43' ' ' ASN . 50.2 m-85 -87.54 -8.99 55.66 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.84 68.17 Favored Glycine 0 C--N 1.313 -0.705 0 C-N-CA 120.15 -1.024 . . . . 0.0 111.587 -176.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 13' ' ' ASN . 39.3 m170 -64.95 126.22 27.33 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 14' ' ' ARG . 11.5 pt-20 -61.47 130.44 46.05 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.256 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.4 p -124.29 130.52 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 121.505 0.669 . . . . 0.0 111.074 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 52' ' ' ARG . 6.3 mmt180 -116.67 135.38 53.83 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.278 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.3 mp -110.53 112.31 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 p -119.66 97.45 5.64 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-O 121.945 0.879 . . . . 0.0 111.312 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -119.82 98.18 49.58 Favored Pre-proline 0 C--N 1.308 -1.224 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.344 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.88 161.85 35.63 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.593 2.195 . . . . 0.0 112.045 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.45 -131.76 1.9 Allowed Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.891 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -74.96 -0.86 20.14 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.442 0.639 . . . . 0.0 110.821 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -93.25 3.43 55.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.737 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.3 92.22 1.28 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.276 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 p -87.8 -10.33 51.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.883 0.373 . . . . 0.0 111.49 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -89.24 -18.5 26.91 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.162 0.506 . . . . 0.0 110.536 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.5 p -87.61 169.54 12.07 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.175 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -68.85 139.92 55.2 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.037 0.446 . . . . 0.0 111.171 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.8 mt -91.35 -9.24 45.59 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.967 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.57 54.09 4.92 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.214 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.3 t -87.68 126.53 41.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.83 108.42 19.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.218 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.1 t -98.0 96.16 7.97 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.888 0.852 . . . . 0.0 109.436 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.615 -177.398 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 ttm . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.47 70.44 1.27 Allowed Glycine 0 C--O 1.238 0.373 0 C-N-CA 120.438 -0.886 . . . . 0.0 112.532 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -66.35 124.24 22.17 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.32 95.05 2.48 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.587 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -101.69 131.74 47.78 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.106 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -104.22 116.41 32.13 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.065 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.7 109.32 20.31 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.237 0.541 . . . . 0.0 110.067 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -96.71 141.94 14.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.279 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.37 128.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 114.65 3.55 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 119.876 -1.154 . . . . 0.0 113.809 -175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 50.1 m -150.59 138.24 19.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.96 -7.8 43.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -109.25 -31.82 7.43 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.217 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 11' ' ' SER . 47.0 mmm-85 -132.38 116.72 17.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.058 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.605 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 36.6 t90 -124.68 127.89 47.99 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.42 150.23 22.45 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 119.562 -1.304 . . . . 0.0 113.767 -175.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.524 HD11 ' CH2' ' A' ' 15' ' ' TRP . 41.4 mm -105.71 115.24 47.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 122.996 0.518 . . . . 0.0 109.839 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -106.64 116.01 31.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.029 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -74.84 108.88 7.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -82.5 98.74 9.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.642 -178.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.99 -7.44 59.67 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.047 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -127.66 87.39 56.09 Favored Pre-proline 0 C--N 1.309 -1.154 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.52 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -36.52 105.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 124.307 3.338 . . . . 0.0 115.159 -173.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.3 p -101.63 -30.93 11.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.484 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.19 105.44 0.63 Allowed Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.339 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.43 107.94 13.65 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.942 0.877 . . . . 0.0 110.091 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.625 ' HD1' ' H ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -91.01 147.95 22.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.608 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -66.82 -41.17 87.92 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -137.78 140.99 40.9 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.597 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 54.5 tttp -69.32 -38.84 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.092 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.41 -34.31 77.88 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.6 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.25 90.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.73 0.3 . . . . 0.0 111.035 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -52.57 31.19 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.037 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -63.97 -44.16 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.63 -49.02 79.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.023 0.439 . . . . 0.0 110.75 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.74 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.716 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.4 70.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.129 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.93 -36.22 82.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.07 0.462 . . . . 0.0 110.253 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.46 77.23 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.335 0.588 . . . . 0.0 110.44 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.88 85.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.474 176.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -61.41 -38.1 85.9 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.216 177.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.2 m -60.6 -45.24 94.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -43.89 97.56 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.195 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.75 71.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.995 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.7 mm -62.49 -43.61 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.097 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.59 -32.81 71.9 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.515 0.674 . . . . 0.0 110.47 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.433 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-85 -86.14 -9.24 57.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.13 17.7 77.79 Favored Glycine 0 CA--C 1.5 -0.868 0 C-N-CA 120.222 -0.989 . . . . 0.0 111.259 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 5.6 m-70 -66.05 140.17 58.24 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.58 122.39 14.56 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 123.473 0.483 . . . . 0.0 110.281 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 75.0 t -115.69 129.47 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -126.86 126.74 43.83 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -107.32 115.79 49.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.4 m -108.89 98.07 7.61 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.086 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.6 p -143.12 93.55 6.52 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.456 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.23 136.73 4.95 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 122.401 2.067 . . . . 0.0 111.492 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.32 125.78 2.22 Favored Glycine 0 N--CA 1.428 -1.886 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -90.46 142.89 27.28 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.0 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 67.66 39.6 2.71 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.926 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.78 -12.44 71.82 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.782 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.4 m 65.89 14.81 9.78 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.213 0.53 . . . . 0.0 111.513 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -87.14 -6.89 58.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.459 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.8 p -91.54 126.63 36.69 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.596 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -96.2 -20.02 18.9 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.536 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.8 mt 60.98 -168.56 0.17 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.185 0.517 . . . . 0.0 111.868 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.84 173.41 33.46 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.929 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.0 m -89.09 136.53 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.829 0.347 . . . . 0.0 111.672 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.5 mm -87.14 110.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 p -107.29 -8.42 16.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.074 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.193 179.817 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 tpp . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 120.534 0.207 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.43 127.54 8.41 Favored Glycine 0 N--CA 1.436 -1.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.614 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -68.59 141.13 55.53 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 120.657 0.265 . . . . 0.0 111.157 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.94 82.43 1.87 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.299 0.571 . . . . 0.0 109.859 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -112.43 139.52 47.92 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.455 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -137.45 123.78 20.65 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.431 0.634 . . . . 0.0 110.122 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.521 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 8.6 t0 -88.8 112.91 23.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.564 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.752 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.36 155.17 3.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-O 121.542 0.687 . . . . 0.0 112.578 -175.09 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.0 129.94 59.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.396 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.78 113.95 3.47 Favored Glycine 0 N--CA 1.433 -1.544 0 C-N-CA 119.788 -1.196 . . . . 0.0 112.985 -176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.627 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.2 m -151.26 136.77 17.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.33 -11.95 61.25 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -103.91 -32.06 9.46 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.822 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 11' ' ' SER . 35.2 ttt180 -141.9 122.1 13.87 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 34.6 t90 -115.04 127.36 55.59 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.35 137.3 12.49 Favored Glycine 0 CA--C 1.503 -0.68 0 C-N-CA 120.606 -0.807 . . . . 0.0 114.114 -172.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mt -109.06 108.18 24.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -115.26 112.89 23.13 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 111.297 -177.206 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.433 ' HB3' ' HD2' ' A' ' 56' ' ' PRO . 27.6 t60 -75.65 132.96 40.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.511 ' CG ' HH12 ' A' ' 18' ' ' ARG . 17.1 t0 -83.38 94.96 8.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.08 0.467 . . . . 0.0 110.49 -176.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.565 ' OD1' ' HA ' ' A' ' 58' ' ' ASN . 17.7 t70 -71.94 -40.38 68.75 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.312 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -111.19 98.64 40.3 Favored Pre-proline 0 C--N 1.313 -1.022 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -39.53 120.56 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 124.274 3.316 . . . . 0.0 114.696 -172.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 p -78.49 -18.24 55.11 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.122 174.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.1 -44.53 3.22 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.954 -1.021 . . . . 0.0 113.727 174.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.19 122.43 28.38 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -152.35 129.47 11.14 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.305 -0.862 . . . . 0.0 108.908 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -65.69 -41.92 91.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.683 0.278 . . . . 0.0 111.526 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -173.74 154.47 2.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.175 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 62.6 tttp -63.46 -49.03 75.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.09 -35.59 80.13 Favored 'General case' 0 C--O 1.192 -1.962 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.355 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.72 97.84 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -49.72 57.23 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.465 ' HD1' ' O ' ' A' ' 30' ' ' LYS . 72.5 m-85 -64.59 -46.58 82.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.345 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.54 -54.91 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.673 0.273 . . . . 0.0 111.339 -177.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.28 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.43 81.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -66.07 -35.55 80.83 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.724 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.09 77.77 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.324 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.2 86.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.622 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.86 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.006 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -61.25 -45.64 93.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -62.95 -40.58 98.11 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.38 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.689 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . . . -58.75 -52.13 67.0 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.917 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -69.63 -37.55 74.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.027 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -61.19 -45.09 96.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.566 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.641 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 46.6 t80 -86.61 -2.06 58.18 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.831 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.06 30.08 48.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.767 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.689 ' CD2' ' HA ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -66.08 133.85 51.6 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.525 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 39.1 tt0 -63.55 117.59 6.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.424 -0.91 . . . . 0.0 108.64 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 57.6 t -97.68 120.76 47.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 pt -105.01 115.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 CA-C-O 121.44 0.638 . . . . 0.0 110.726 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.0 m -123.01 94.65 4.33 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-O 121.669 0.747 . . . . 0.0 109.118 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.78 90.38 50.68 Favored Pre-proline 0 C--N 1.31 -1.116 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.434 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.462 ' HG2' ' HB2' ' A' ' 21' ' ' ASP . 95.1 Cg_endo -80.57 148.15 18.02 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.155 1.903 . . . . 0.0 111.076 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.83 158.49 29.52 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.285 -0.96 . . . . 0.0 111.089 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.565 ' HA ' ' OD1' ' A' ' 21' ' ' ASP . 12.3 m120 -67.91 108.23 2.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.998 0.428 . . . . 0.0 110.352 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -84.88 152.84 23.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.825 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.66 -22.04 65.64 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.346 -0.454 . . . . 0.0 112.348 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.4 m 61.11 22.09 12.42 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.014 0.526 . . . . 0.0 111.846 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 67.69 3.06 3.26 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.473 0.709 . . . . 0.0 111.924 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.8 p -88.92 162.17 16.25 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.756 0.312 . . . . 0.0 111.188 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -85.4 109.85 18.73 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.2 mt -98.63 11.6 37.95 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.276 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.8 139.99 48.03 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.328 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.8 m -86.81 94.33 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.446 0.641 . . . . 0.0 112.421 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.75 -36.62 8.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 m -92.85 129.76 38.67 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.617 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.313 -0.989 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.513 -178.643 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.2 mtm . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.64 101.93 2.18 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.604 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -66.1 148.55 51.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.719 0.295 . . . . 0.0 111.273 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.76 106.18 4.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -106.37 131.0 54.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.428 ' OH ' ' HA ' ' A' ' 34' ' ' PHE . 34.0 p90 -115.74 129.82 56.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.9 108.28 19.61 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.315 0.579 . . . . 0.0 110.49 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -84.76 153.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.491 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -115.27 129.54 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.08 114.7 3.62 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 119.607 -1.283 . . . . 0.0 114.206 -174.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.1 m -155.28 143.61 20.28 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.76 -23.13 64.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -103.13 -29.5 11.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.992 0.425 . . . . 0.0 111.433 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 11' ' ' SER . 49.1 mmm-85 -135.63 100.01 4.36 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 5.4 t90 -107.1 126.05 51.86 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.72 137.45 12.46 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.368 -173.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.7 mt -109.03 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -108.45 127.41 53.89 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.801 -177.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.459 ' HB2' HG12 ' A' ' 55' ' ' VAL . 48.4 t-80 -81.97 120.28 25.03 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.663 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -80.58 109.05 14.73 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -63.54 -34.35 77.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.191 -173.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -134.21 122.75 16.29 Favored Pre-proline 0 C--N 1.311 -1.094 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.29 108.07 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.408 2.739 . . . . 0.0 114.51 -172.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 t -106.83 -27.4 10.76 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.5 99.57 1.77 Allowed Glycine 0 N--CA 1.431 -1.673 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.35 147.38 53.02 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.72 133.25 26.83 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.367 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -66.37 -39.41 89.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.677 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -153.72 149.0 27.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.783 0.325 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -63.88 -30.5 71.58 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.5 -38.97 89.27 Favored 'General case' 0 C--O 1.197 -1.697 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.135 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.88 85.7 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.625 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.53 -57.86 3.83 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.314 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 68.2 m-85 -62.06 -45.73 92.26 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.521 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.11 -53.73 55.07 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.987 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.019 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.74 80.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.802 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.3 p -66.11 -35.29 80.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.06 83.55 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.156 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.417 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.2 93.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.8 m -61.9 -46.01 91.22 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.916 0.389 . . . . 0.0 110.289 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.43 -43.37 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.07 -49.98 73.79 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.87 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 tt -66.65 -31.28 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.232 0.539 . . . . 0.0 110.263 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.94 -36.86 82.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.314 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -86.15 -6.9 58.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.217 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.87 39.5 11.75 Favored Glycine 0 CA--C 1.503 -0.695 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.262 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.515 ' CD2' ' HB3' ' A' ' 15' ' ' TRP . 12.5 p-80 -67.94 141.18 56.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.614 0.245 . . . . 0.0 110.567 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.57 127.75 33.57 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.1 p -94.44 133.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.397 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.01 118.32 24.23 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -106.6 114.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -117.57 94.88 4.71 Favored 'General case' 0 N--CA 1.425 -1.702 0 CA-C-O 121.62 0.724 . . . . 0.0 110.273 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 19' ' ' HIS . 10.6 m -124.14 83.09 56.38 Favored Pre-proline 0 C--N 1.312 -1.065 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.868 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.91 145.28 44.99 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.173 1.915 . . . . 0.0 112.345 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.7 -149.84 9.22 Favored Glycine 0 N--CA 1.437 -1.271 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.43 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -88.52 92.6 9.25 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.317 0.579 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -94.16 -8.17 40.21 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.702 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.47 -52.86 0.19 Allowed Glycine 0 N--CA 1.44 -1.035 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -178.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 m -73.77 117.01 15.04 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.06 125.4 25.88 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.37 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.3 p -85.05 164.2 18.38 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.869 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -80.41 87.11 5.66 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.523 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.4 mt 57.39 -86.87 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.533 -1.212 . . . . 0.0 113.21 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.75 -61.49 4.68 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.063 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.87 132.02 38.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 120.838 0.352 . . . . 0.0 110.134 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.3 mt -90.62 114.98 29.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.1 t -94.35 97.78 10.45 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.688 0.756 . . . . 0.0 111.032 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 . . . . . 0 C--N 1.313 -0.982 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.874 179.231 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.58 95.8 1.61 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.216 -0.993 . . . . 0.0 111.986 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.86 144.78 54.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.645 0.26 . . . . 0.0 110.693 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.07 100.31 13.16 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -101.59 120.98 41.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.532 0.682 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -108.01 116.46 32.0 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -92.1 108.04 19.65 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -99.57 142.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.052 -176.148 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.1 m -113.08 135.22 53.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.006 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.26 115.9 3.79 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 119.798 -1.191 . . . . 0.0 114.183 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.62 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 30.3 t -148.58 137.24 21.42 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.98 -2.96 17.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.623 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.0 -31.88 3.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.329 177.07 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.62 ' O ' ' HB3' ' A' ' 11' ' ' SER . 27.1 mmm-85 -128.66 95.39 4.1 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.54 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -103.65 129.37 50.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.47 148.51 20.2 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.739 -1.22 . . . . 0.0 114.14 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mp -107.56 118.24 54.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -115.54 113.25 23.38 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.859 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -82.09 104.95 12.8 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.85 137.39 47.48 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -97.0 -1.48 45.44 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -173.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -140.41 148.21 52.81 Favored Pre-proline 0 C--N 1.321 -0.65 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.742 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.52 120.25 8.03 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.396 2.064 . . . . 0.0 112.003 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -78.73 -15.94 57.84 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.432 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.26 -60.64 4.68 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.39 132.17 35.22 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.433 -0.384 . . . . 0.0 110.65 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -156.02 133.36 10.81 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' SER . 15.8 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.256 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' SER . 22.7 t 172.07 146.49 0.04 OUTLIER 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.29 -45.3 88.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 110.505 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -65.68 -36.15 82.81 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.78 87.76 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 120.829 0.347 . . . . 0.0 110.629 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.63 39.79 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.327 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -67.08 -41.26 86.63 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.2 -54.65 44.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.009 0.433 . . . . 0.0 110.509 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.58 93.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.206 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.434 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -59.21 -50.54 73.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.129 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.61 -37.33 82.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.855 0.359 . . . . 0.0 111.212 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.0 77.7 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.353 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.76 88.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.58 94.36 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.642 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 m -61.03 -49.51 77.11 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.802 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -64.73 -42.55 95.13 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.581 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.51 -51.84 67.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 111.34 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mm -65.2 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.362 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -58.64 -39.54 80.84 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.241 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -86.6 -17.59 33.54 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.636 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 23.34 30.47 Favored Glycine 0 C--N 1.316 -0.568 0 C-N-CA 119.862 -1.161 . . . . 0.0 111.184 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.581 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 63.7 m170 -65.65 137.63 57.46 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.69 138.95 57.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.064 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.96 134.88 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.289 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -118.91 134.41 55.19 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -125.51 117.47 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.519 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -130.74 95.01 3.74 Favored 'General case' 0 N--CA 1.417 -2.103 0 CA-C-O 121.887 0.851 . . . . 0.0 110.941 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t -134.22 93.25 19.83 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.385 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.98 170.11 15.6 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 123.389 2.726 . . . . 0.0 111.991 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.63 142.91 19.68 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -68.99 122.44 18.68 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.346 0.593 . . . . 0.0 111.025 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -100.13 -26.06 14.07 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.886 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 62' ' ' GLU . . . -100.64 106.61 3.14 Favored Glycine 0 N--CA 1.433 -1.504 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.825 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 t -77.06 24.77 0.16 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.178 0.513 . . . . 0.0 110.658 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 60' ' ' GLY . 48.7 mt-10 -93.06 -21.09 19.93 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.217 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.9 m -86.52 -45.6 10.94 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.367 0.603 . . . . 0.0 109.494 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -102.88 104.71 14.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.392 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.554 ' H ' HD23 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -90.94 -12.93 34.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.346 -178.074 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.82 105.24 0.19 Allowed Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.035 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.2 p -150.97 119.15 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-O 120.84 0.352 . . . . 0.0 110.671 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 98.6 mt -86.71 114.59 26.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 t -94.81 119.4 33.33 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-O 121.627 0.727 . . . . 0.0 110.74 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.306 -1.312 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.065 -178.664 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 tpp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.657 0.265 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.06 -47.47 3.14 Favored Glycine 0 C--O 1.24 0.469 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.765 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -66.99 104.45 1.39 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.201 0.524 . . . . 0.0 111.587 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.76 100.83 2.57 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.132 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -102.8 133.44 47.85 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.702 . . . . 0.0 112.444 -174.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -122.32 116.8 24.69 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.19 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -92.55 107.03 18.91 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -92.63 145.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.045 -174.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 m -111.45 130.95 64.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 173.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.57 112.63 3.04 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 119.657 -1.259 . . . . 0.0 113.171 -175.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -153.54 142.73 21.42 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 176.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.6 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 7.6 p-10 -71.57 -7.96 50.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.943 0.401 . . . . 0.0 111.778 -178.766 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.5 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 3.7 p30 -112.89 -30.59 6.99 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.724 178.178 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 55.7 mmm-85 -129.4 111.4 12.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.444 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 68.7 t90 -116.84 132.98 56.56 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.67 132.25 4.67 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 119.428 -1.367 . . . . 0.0 115.992 -173.232 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.444 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 50.5 mm -104.65 105.85 19.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.102 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -115.94 116.82 28.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.653 0.263 . . . . 0.0 110.946 -176.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -82.48 92.75 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.065 0.46 . . . . 0.0 112.027 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.486 ' HB3' ' CD ' ' A' ' 23' ' ' PRO . 1.8 m-20 -87.46 121.76 30.31 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.831 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.18 -53.05 55.4 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.678 -175.15 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.621 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 3.0 p30 -176.64 48.08 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.582 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.137 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.621 ' HD3' ' N ' ' A' ' 22' ' ' ASP . 1.9 Cg_endo -79.19 -6.98 15.09 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.063 1.842 . . . . 0.0 109.989 177.402 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.411 ' C ' ' H ' ' A' ' 26' ' ' ASP . 73.0 p -98.37 -17.23 18.96 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.799 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.18 -28.41 1.69 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.559 -1.2 . . . . 0.0 112.458 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 24' ' ' THR . 2.7 p-10 -142.39 169.91 16.69 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-O 120.895 0.378 . . . . 0.0 111.157 -175.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -150.16 148.25 28.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.275 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -66.58 -42.4 87.04 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.014 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p 176.4 150.7 0.14 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.547 0.339 . . . . 0.0 110.487 178.378 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.724 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.71 -37.27 84.36 Favored 'General case' 0 C--O 1.198 -1.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -35.1 78.57 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.43 -53.2 25.18 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.298 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -68.03 -43.7 78.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.83 -53.98 52.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.887 0.375 . . . . 0.0 110.734 -178.364 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.093 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.75 76.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.3 m -66.85 -36.89 83.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.028 0.442 . . . . 0.0 110.626 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.42 80.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.51 78.02 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.166 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.66 89.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.764 178.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -61.86 -46.2 90.5 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 178.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.21 -39.04 93.16 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.187 177.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.76 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -58.37 -52.11 66.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.628 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -67.27 -40.78 85.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.253 0.549 . . . . 0.0 109.788 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 ttmt -57.52 -44.97 85.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.083 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.489 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 44.3 t80 -92.68 -6.1 49.97 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -175.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.9 32.59 23.48 Favored Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 119.808 -1.187 . . . . 0.0 111.987 -178.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.76 ' CG ' ' HA ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -66.51 140.99 58.03 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.518 179.252 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.74 123.28 18.01 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.197 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.63 125.5 48.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.218 0.533 . . . . 0.0 111.766 -175.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -130.89 130.86 44.07 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.272 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mp -125.82 116.9 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -126.11 97.04 4.93 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.757 0.789 . . . . 0.0 111.886 -178.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 16.8 m -119.22 124.76 27.99 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.199 177.531 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 55' ' ' VAL . 19.2 Cg_exo -66.36 145.41 77.43 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.702 2.268 . . . . 0.0 112.444 178.272 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -135.26 30.67 2.78 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.053 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -101.35 -11.62 19.27 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -178.237 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -91.38 121.92 33.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.472 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 138.12 -3.73 3.1 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -176.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.1 m -79.01 -5.22 53.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.994 0.426 . . . . 0.0 110.375 178.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -136.17 97.2 3.54 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-O 121.371 0.605 . . . . 0.0 110.398 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.7 m -79.02 92.43 4.98 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.45 178.051 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -115.69 3.64 13.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.576 177.318 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.93 149.02 48.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.812 -177.058 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.47 147.82 49.11 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.25 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 69' ' ' THR . 4.0 t -88.66 125.25 41.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.9 tt -89.09 -8.3 10.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.382 0.611 . . . . 0.0 110.654 -179.013 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.433 ' H ' HG12 ' A' ' 67' ' ' VAL . 13.8 t -101.56 132.0 47.45 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.96 178.773 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.332 -179.599 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.66 0 CA-C-O 121.0 0.428 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -107.59 125.03 50.81 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.922 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.06 128.38 55.85 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.714 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -87.84 108.67 19.27 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.535 HG22 HD12 ' A' ' 17' ' ' ILE . 29.6 pt -100.1 142.38 15.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.388 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -110.63 134.33 53.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.54 113.56 3.55 Favored Glycine 0 N--CA 1.426 -2.01 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.334 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 69.5 m -155.46 127.3 7.49 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.511 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 9.9 p-10 -69.88 -8.41 48.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.503 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 20.3 m120 -109.73 -30.54 7.82 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.682 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.3 mmm-85 -138.32 96.51 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 89.6 t90 -101.76 131.26 48.15 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.15 149.93 21.9 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 118.979 -1.581 . . . . 0.0 113.799 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.535 HD12 HG22 ' A' ' 8' ' ' ILE . 48.0 mm -115.44 122.84 70.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 122.381 0.272 . . . . 0.0 110.324 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 54' ' ' THR . 63.7 ttp85 -112.42 120.2 40.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.356 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.566 ' HB2' HG12 ' A' ' 55' ' ' VAL . 30.2 t-80 -74.81 117.19 16.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 t0 . . . . . 0 N--CA 1.443 -0.777 0 O-C-N 123.993 0.808 . . . . 0.0 109.366 -178.716 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 p90 . . . . . 0 CA--C 1.507 -0.689 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 m -65.55 -40.65 93.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 t -171.77 158.87 5.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.735 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.54 -45.93 88.33 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.86 -36.81 83.17 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.072 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.74 85.94 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.16 -51.72 35.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -64.79 -44.23 90.62 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -58.09 -53.61 56.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.919 0.39 . . . . 0.0 110.706 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.69 92.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.76 72.28 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.628 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.68 -38.0 85.91 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.87 0.366 . . . . 0.0 111.014 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.88 83.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.608 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.12 86.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.41 95.06 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -61.22 -45.88 92.75 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.03 0.443 . . . . 0.0 110.162 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -63.53 -40.81 97.99 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.682 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -58.64 -52.84 63.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.254 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.11 -37.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-O 121.26 0.553 . . . . 0.0 110.006 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.705 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 20.2 t80 -92.14 -3.21 55.96 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.18 22.03 53.22 Favored Glycine 0 N--CA 1.464 0.514 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.825 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 41.3 m170 -66.05 135.24 54.37 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.26 132.96 55.58 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -104.02 120.1 53.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -116.92 118.23 31.88 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.51 110.96 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 34.4 m -127.74 92.99 3.59 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.593 0.711 . . . . 0.0 109.388 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 19' ' ' HIS . 30.9 m . . . . . 0 C--N 1.306 -1.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.228 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 27' ' ' TYR . 86.8 t80 -128.43 132.99 48.46 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.12 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 44.5 p90 -135.61 122.21 20.82 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.735 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.2 t0 -86.64 126.4 34.5 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.542 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.0 pt -102.18 154.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -123.74 129.4 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.831 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.52 114.79 2.33 Favored Glycine 0 N--CA 1.441 -1.028 0 C-N-CA 119.413 -1.375 . . . . 0.0 114.216 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.558 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 47.2 m -124.45 148.83 47.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.74 -9.78 58.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -113.82 -29.36 7.1 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 11' ' ' SER . 34.8 ttt180 -135.65 122.17 20.72 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.404 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 70.8 t90 -123.61 129.22 50.82 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.827 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -142.9 147.2 18.54 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 119.956 -1.116 . . . . 0.0 114.011 -175.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.404 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 49.7 mm -103.93 117.47 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.735 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 1.3 ttt-85 -109.67 104.58 13.6 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.887 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -81.68 129.37 34.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.724 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' CG ' HH12 ' A' ' 18' ' ' ARG . 2.8 m-20 . . . . . 0 N--CA 1.446 -0.642 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.557 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 44.3 p90 . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -69.15 -40.85 77.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.513 0.673 . . . . 0.0 109.652 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.1 t -167.72 142.31 3.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.981 -1.008 . . . . 0.0 108.826 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 28.2 ttpp -65.86 -43.58 87.97 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.21 -35.37 80.26 Favored 'General case' 0 C--O 1.194 -1.865 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.514 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.68 83.44 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 123.221 0.326 . . . . 0.0 110.926 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.84 61.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 91.8 m-85 -65.45 -40.69 93.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 111.127 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.63 -54.9 40.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.105 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.75 85.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.29 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.349 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -67.87 -36.42 80.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.292 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.58 96.89 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.135 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.95 85.05 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.6 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.28 99.12 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.433 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 p -62.78 -45.92 90.42 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.671 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -63.06 -41.09 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 0.0 109.805 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -59.89 -52.28 66.12 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.966 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -69.78 -40.22 78.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.502 -178.389 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.73 -41.29 99.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.646 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 31.4 t80 -86.92 -5.81 58.98 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 30.92 35.98 Favored Glycine 0 CA--C 1.502 -0.739 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.646 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 33.7 m170 -65.54 143.02 57.91 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.89 118.95 7.9 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.1 126.86 49.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.445 0.64 . . . . 0.0 111.62 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 69.6 mmt-85 -128.36 134.34 48.84 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.393 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.3 mm -126.26 117.21 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 p -123.99 98.66 5.89 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.392 0.615 . . . . 0.0 111.294 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 C--N 1.314 -0.943 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.217 178.021 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.525 0.202 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -118.18 126.23 51.79 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.649 0.738 . . . . 0.0 111.78 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.471 ' HE1' ' CE2' ' A' ' 34' ' ' PHE . 46.8 p90 -118.71 136.16 54.09 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.577 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -90.53 115.19 27.48 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.372 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.672 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.19 143.99 10.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.972 -178.008 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.02 131.84 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.17 114.89 3.79 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.532 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.66 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.9 m -153.29 129.16 10.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.97 -10.24 57.91 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -107.1 -29.13 9.57 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.199 -1.0 . . . . 0.0 110.122 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.66 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.0 mmm-85 -136.89 100.27 4.26 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.48 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.703 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 31.3 t90 -101.81 126.37 48.67 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.261 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.38 141.44 12.75 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.476 -0.868 . . . . 0.0 113.326 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.678 HD11 ' CZ3' ' A' ' 15' ' ' TRP . 21.0 mt -115.06 124.26 71.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 54' ' ' THR . 66.0 ttp85 -120.46 120.39 35.78 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.24 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -75.42 123.48 25.48 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 12.7 t0 . . . . . 0 CA--C 1.506 -0.744 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.984 -173.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.8 p90 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -68.85 -41.22 78.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.817 0.342 . . . . 0.0 111.281 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -171.44 151.73 3.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.576 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -65.06 -42.78 93.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.78 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.44 -36.53 83.03 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.662 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.44 81.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 120.624 0.25 . . . . 0.0 110.665 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.25 5.37 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.471 ' CE2' ' HE1' ' A' ' 6' ' ' TYR . 85.5 m-85 -63.99 -46.77 83.11 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.96 -53.96 52.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 -177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.08 85.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.862 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.76 68.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.809 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.42 -36.11 82.0 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.52 75.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.059 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.723 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.703 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -62.62 -37.73 87.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.002 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 m -61.26 -46.19 91.41 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.987 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.36 -44.11 95.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.849 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.25 -51.06 71.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.938 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -68.84 -38.11 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 0.0 111.254 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.14 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -87.62 -6.05 58.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.97 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.05 20.77 79.16 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.857 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.439 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 60.7 m170 -65.52 137.08 57.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.15 126.43 27.49 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.261 -0.575 . . . . 0.0 109.716 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 17.7 m -109.81 127.42 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.353 0.597 . . . . 0.0 110.1 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.429 ' NH1' ' HA ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -114.69 115.94 27.9 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.94 109.86 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 27.1 m -119.05 96.36 5.2 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 121.644 0.735 . . . . 0.0 109.547 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.306 -1.323 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.029 178.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -107.99 137.69 45.55 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.043 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -123.28 125.12 44.46 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.65 110.66 21.82 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.446 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 pt -88.53 151.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.864 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -113.8 130.79 67.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 176.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.89 113.95 3.75 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 119.459 -1.353 . . . . 0.0 112.017 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.605 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 73.2 m -151.44 138.87 19.47 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.559 -0.32 . . . . 0.0 110.659 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.468 ' HA ' ' NE2' ' A' ' 49' ' ' HIS . 10.6 m-20 -70.21 -22.98 62.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -112.72 -32.85 6.29 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.13 -1.028 . . . . 0.0 113.003 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 11' ' ' SER . 51.8 mmm-85 -127.48 86.91 2.55 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.17 0.51 . . . . 0.0 110.459 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -98.73 133.17 43.43 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.506 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -150.37 148.65 20.07 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.51 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.18 121.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -113.1 119.72 38.82 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.92 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' HB3' ' HA ' ' A' ' 55' ' ' VAL . 43.3 t-80 -78.34 122.44 25.76 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.623 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.3 t80 . . . . . 0 N--CA 1.434 -1.24 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -62.9 -42.66 99.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 p -153.18 149.89 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.019 0.438 . . . . 0.0 111.112 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 55.1 tttp -64.8 -42.61 94.88 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.977 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.03 -37.92 87.08 Favored 'General case' 0 C--O 1.203 -1.374 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.432 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.94 76.03 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.152 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.99 -54.44 15.23 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.133 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' HD1' ' O ' ' A' ' 30' ' ' LYS . 84.5 m-85 -65.68 -44.04 87.43 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.82 -55.41 35.48 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.885 0.374 . . . . 0.0 111.065 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.83 77.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.06 94.41 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.99 -36.26 81.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.302 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.66 98.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 109.679 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.361 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.53 88.16 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 p -64.6 -37.2 86.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.346 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.211 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.83 -50.48 73.63 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.182 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.9 mm -63.56 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.151 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.48 -43.11 93.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.623 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 8.7 t80 -86.8 -2.65 58.73 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.19 28.06 50.42 Favored Glycine 0 CA--C 1.509 -0.327 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.64 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.591 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 48.2 m170 -67.92 135.84 53.06 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.86 138.06 58.43 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.51 113.71 44.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.138 0.494 . . . . 0.0 112.092 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 52' ' ' ARG . 49.7 mmt-85 -111.19 138.77 47.22 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.691 174.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.4 mt -128.34 115.93 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.6 p -126.63 96.64 4.73 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-O 121.377 0.608 . . . . 0.0 109.867 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.481 ' HA ' ' HB3' ' A' ' 19' ' ' HIS . 3.5 p . . . . . 0 C--N 1.31 -1.123 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.842 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.231 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.616 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 78.7 t80 -130.23 132.21 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.655 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.511 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 24.5 p90 -120.23 131.06 54.8 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 40.7 t0 -86.53 107.69 18.22 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.614 -174.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -92.87 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.636 0.731 . . . . 0.0 112.74 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.77 132.68 67.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.612 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -109.47 119.29 5.44 Favored Glycine 0 CA--C 1.495 -1.186 0 C-N-CA 119.397 -1.382 . . . . 0.0 112.494 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.708 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.2 m -154.67 128.53 8.75 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-O 121.098 0.475 . . . . 0.0 111.594 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 -12.3 61.53 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.998 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -107.34 -35.14 6.88 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 118.298 -1.361 . . . . 0.0 111.317 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.708 ' O ' ' HB2' ' A' ' 11' ' ' SER . 38.0 ttm105 -143.9 108.11 4.77 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.007 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.612 ' CZ3' ' HA2' ' A' ' 10' ' ' GLY . 25.1 t-105 -102.86 129.65 49.62 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.864 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.88 136.95 9.21 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.092 -1.052 . . . . 0.0 113.827 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.502 HD11 ' HE1' ' A' ' 15' ' ' TRP . 48.8 mm -102.22 111.58 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 109.4 176.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.607 ' HG2' HH11 ' A' ' 18' ' ' ARG . 9.9 ttt-85 -108.72 119.34 39.24 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.3 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -78.05 127.0 31.66 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 122.262 -0.273 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.026 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.616 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 4.2 p90 . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -64.59 -40.37 95.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.088 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -143.62 142.71 31.16 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.432 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 41.2 ttmt -64.28 -43.51 94.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 109.844 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.22 -32.07 73.55 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.166 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.01 91.68 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.877 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -50.72 41.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.155 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 62.4 m-85 -62.73 -46.89 86.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.55 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.49 84.81 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.528 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -47.93 83.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.11 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.21 -36.61 82.07 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.895 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.02 97.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 121.649 0.737 . . . . 0.0 110.152 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.23 -36.06 80.87 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.565 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.24 99.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.944 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 p -63.61 -38.23 90.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.128 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.51 -41.24 98.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.293 0.568 . . . . 0.0 110.04 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.536 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.21 -51.74 68.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.578 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.62 -31.05 44.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.218 0.532 . . . . 0.0 110.387 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.16 -45.41 94.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.745 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -88.86 -3.95 58.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.29 25.54 65.8 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 120.109 -1.044 . . . . 0.0 111.815 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.536 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 65.7 m170 -65.62 138.65 58.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.48 121.18 12.62 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.49 129.83 54.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-O 121.027 0.441 . . . . 0.0 110.132 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -121.85 130.5 53.42 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -130.84 113.42 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.3 p -121.78 97.64 5.58 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.831 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.315 -0.898 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -179.744 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 30' ' ' LYS . . . . . . . . 0 C--O 1.239 0.517 0 CA-C-O 120.996 0.427 . . . . 0.0 110.126 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.422 ' OH ' ' HB3' ' A' ' 7' ' ' ASP . 17.0 t80 -102.78 137.64 40.72 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.871 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 19' ' ' HIS . 35.6 p90 -147.77 125.28 11.7 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.422 ' HB3' ' OH ' ' A' ' 5' ' ' TYR . 1.6 p30 -96.01 147.36 23.78 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.263 0.554 . . . . 0.0 110.768 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 pt -103.24 145.81 11.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.568 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 131.74 62.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.46 114.46 3.79 Favored Glycine 0 N--CA 1.439 -1.151 0 C-N-CA 119.769 -1.205 . . . . 0.0 112.299 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 68.7 m -150.43 126.93 10.8 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.42 -7.21 29.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -112.15 -33.16 6.32 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 118.934 -1.106 . . . . 0.0 111.326 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 11' ' ' SER . 56.8 mmm-85 -140.1 102.12 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -99.79 128.72 45.87 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.06 143.14 14.38 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.753 -1.213 . . . . 0.0 114.721 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.8 mm -108.23 113.74 44.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -112.91 111.65 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.664 -0.415 . . . . 0.0 111.723 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.556 ' HA ' ' CB ' ' A' ' 6' ' ' TYR . 62.9 t-80 -84.54 99.11 10.52 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.478 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 N--CA 1.438 -1.034 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.754 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.442 -0.86 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -70.15 -25.72 63.59 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.319 175.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 p -151.43 142.98 23.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.883 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 4' ' ' ALA . 29.7 mttm -71.17 -33.75 70.3 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.34 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.99 -33.67 75.89 Favored 'General case' 0 C--O 1.195 -1.774 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.083 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.79 97.57 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.967 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.4 -53.32 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.366 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.518 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 70.7 m-85 -63.71 -45.23 90.94 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.49 -49.61 76.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.83 90.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.0 88.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.057 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 -37.33 86.76 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.142 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.77 87.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.79 99.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.168 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.6 91.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.781 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 49.2 m -61.48 -47.02 87.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.84 -41.97 98.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.63 -51.05 71.03 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.405 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.65 -31.54 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.295 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 42' ' ' SER . 29.1 mtpp -62.41 -42.71 99.64 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.607 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -88.7 -2.9 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 111.115 -177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.41 17.66 66.02 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.51 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -67.43 133.8 50.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -61.44 130.45 46.1 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.395 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.85 114.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -101.08 124.65 47.13 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -115.59 110.35 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.916 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.9 p -120.25 97.11 5.43 Favored 'General case' 0 N--CA 1.414 -2.241 0 CA-C-O 121.771 0.796 . . . . 0.0 109.727 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.437 HG12 ' HB2' ' A' ' 19' ' ' HIS . 8.0 m . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.537 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.17 137.04 43.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.917 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -114.2 117.75 32.05 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.518 174.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 43.5 t0 -91.07 108.15 19.68 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.09 151.5 5.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 121.398 0.618 . . . . 0.0 112.314 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.98 137.77 49.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.353 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.02 114.34 3.67 Favored Glycine 0 N--CA 1.441 -1.023 0 C-N-CA 119.618 -1.277 . . . . 0.0 113.556 -174.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.6 m -151.53 116.28 5.16 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.92 28.83 0.06 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -135.35 -35.08 0.83 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.286 0.565 . . . . 0.0 109.78 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' HG3' ' HB3' ' A' ' 50' ' ' GLU . 62.3 ttt180 -142.0 114.46 8.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' NE1' ' HB1' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -112.42 130.05 56.11 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.864 -174.683 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.12 135.49 10.71 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 119.901 -1.142 . . . . 0.0 114.538 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mm -104.72 110.62 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 13.2 ttt-85 -111.79 119.22 37.88 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -78.42 136.96 37.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 18.1 t70 . . . . . 0 C--N 1.318 -0.794 0 CA-C-O 121.156 0.503 . . . . 0.0 110.482 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 t80 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -62.54 -42.6 99.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 p -167.19 157.13 10.96 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.92 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -65.38 -40.82 93.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.544 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.04 -36.23 83.71 Favored 'General case' 0 C--O 1.199 -1.582 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.639 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.81 71.34 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.63 0.252 . . . . 0.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.11 -55.39 8.3 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.312 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -64.91 -43.0 94.26 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.85 -54.48 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.912 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.78 83.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.97 83.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.51 -37.89 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.412 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 121.279 0.562 . . . . 0.0 110.229 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.57 ' HB1' ' NE1' ' A' ' 15' ' ' TRP . . . -64.38 -43.93 92.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.348 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.22 94.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.51 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 19.9 p -64.3 -41.55 96.8 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.652 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.942 0.401 . . . . 0.0 110.182 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.04 71.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.269 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.2 tt -66.57 -34.9 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.543 -176.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 42' ' ' SER . 62.1 mtpt -61.32 -39.54 90.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.555 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -89.72 -0.39 57.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.749 0.309 . . . . 0.0 111.657 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.65 76.17 Favored Glycine 0 CA--C 1.498 -1.03 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.377 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 45.7 m170 -65.78 145.12 56.37 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -60.93 107.84 0.77 Allowed 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.252 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 49' ' ' HIS . 61.6 t -100.36 108.42 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 121.155 0.503 . . . . 0.0 110.377 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -110.64 119.43 39.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.796 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -106.2 110.88 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -117.59 98.8 6.57 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 CA--C 1.549 0.928 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.589 -178.112 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 85.7 t80 -113.3 134.52 54.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.261 0.553 . . . . 0.0 111.632 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.45 131.12 57.03 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.5 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.84 116.64 29.07 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 HD13 ' A' ' 17' ' ' ILE . 2.9 mp -106.38 133.03 52.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-O 120.927 0.394 . . . . 0.0 110.278 -176.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -103.83 129.45 55.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.56 114.56 3.52 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.891 -1.147 . . . . 0.0 112.905 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -151.6 140.3 20.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.99 -2.51 15.57 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -108.13 -33.36 7.18 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.377 175.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -143.0 125.09 15.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.955 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.42 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 89.3 t90 -118.04 134.28 55.12 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.69 149.25 21.12 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 119.009 -1.567 . . . . 0.0 116.374 -173.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.448 HD13 HG23 ' A' ' 8' ' ' ILE . 46.7 mm -115.92 117.49 55.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 123.596 0.758 . . . . 0.0 109.212 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -116.41 120.57 39.24 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.571 0.224 . . . . 0.0 110.919 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.64 118.75 24.05 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 120.244 -0.583 . . . . 0.0 109.91 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.005 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' HB3' ' CD1' ' A' ' 5' ' ' TYR . 24.4 p90 . . . . . 0 C--O 1.237 0.411 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -70.09 -41.65 73.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.926 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -148.85 142.38 25.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.973 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.43 -39.0 91.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.25 -36.48 84.25 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.332 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.82 87.84 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.115 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.74 -58.8 3.08 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.668 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -66.36 -47.5 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.07 -48.03 82.01 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.339 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.89 91.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.914 0.387 . . . . 0.0 110.691 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.94 71.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.166 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -66.3 -35.85 81.44 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 111.003 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.4 77.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.288 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.18 -36.38 83.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.557 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . . . -59.49 -41.79 90.65 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.757 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -60.39 -46.33 90.38 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.644 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.82 -45.02 91.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.473 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.45 68.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.191 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 41' ' ' ALA . 19.8 tt -68.75 -36.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.284 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -62.04 -39.89 93.87 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.957 0.408 . . . . 0.0 110.703 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -85.95 -9.76 56.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.131 -176.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.45 22.81 57.93 Favored Glycine 0 CA--C 1.501 -0.843 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.762 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -67.28 142.37 56.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.09 137.4 58.11 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 p -112.85 131.28 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.85 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.96 114.17 21.14 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.71 111.37 35.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -117.75 95.42 4.93 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-O 121.482 0.658 . . . . 0.0 109.932 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.942 178.588 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 121.048 0.451 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -98.23 140.56 32.34 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.922 0.868 . . . . 0.0 111.587 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -124.69 117.94 25.35 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -95.5 108.38 20.61 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-O 121.227 0.537 . . . . 0.0 109.553 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 pp -90.05 145.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.952 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.26 129.05 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.37 114.17 3.73 Favored Glycine 0 CA--C 1.492 -1.353 0 C-N-CA 119.603 -1.284 . . . . 0.0 112.658 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.655 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.7 m -154.26 126.4 7.83 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.332 0.653 . . . . 0.0 109.618 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.04 -3.33 9.85 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.81 -30.13 7.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.518 0.675 . . . . 0.0 110.242 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 11' ' ' SER . 8.1 tpt180 -140.17 101.59 4.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.654 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.46 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -107.12 130.03 54.75 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.868 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.13 141.02 11.89 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.684 -1.246 . . . . 0.0 114.268 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.87 109.74 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 18' ' ' ARG . 13.3 ttp180 -112.29 114.65 27.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 111.451 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -81.13 93.29 6.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.168 0.509 . . . . 0.0 111.72 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.438 -1.073 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.695 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.1 p90 . . . . . 0 C--O 1.238 0.455 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.5 m -70.59 -40.52 73.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.17 0.51 . . . . 0.0 110.669 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t 176.55 143.33 0.08 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.129 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -67.05 -45.38 77.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.359 . . . . 0.0 110.445 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.12 -37.91 86.88 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.85 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.26 77.75 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 120.855 0.359 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.01 -57.42 5.48 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.884 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -65.96 -42.31 90.09 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.57 -52.9 63.59 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.4 93.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.587 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -50.0 75.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.018 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.06 -39.88 90.46 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.926 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.97 65.84 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.127 0.489 . . . . 0.0 111.216 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.21 88.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.775 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.86 88.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.914 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.7 m -61.21 -41.95 97.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -60.76 -47.13 87.7 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.922 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.68 -51.08 70.91 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.966 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.02 -40.48 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -61.97 -39.77 93.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.927 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.85 -4.41 59.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.731 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.86 11.31 70.74 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.717 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.468 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 50.9 m170 -69.5 134.16 48.56 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.55 133.27 52.02 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.319 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.3 p -113.6 132.36 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-O 121.128 0.489 . . . . 0.0 110.31 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.35 138.61 40.52 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 tt -126.86 110.64 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.438 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -128.49 95.18 4.06 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.159 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.858 -179.366 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 CA-C-O 121.228 0.537 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -124.32 134.37 53.2 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.88 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.406 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 31.2 p90 -127.29 134.82 49.98 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.845 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 53.6 t0 -86.57 108.0 18.39 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -90.07 140.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.18 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.5 t -112.19 129.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.86 114.83 3.68 Favored Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.686 -1.245 . . . . 0.0 112.41 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.55 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 43.1 m -150.02 135.98 18.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -72.74 -7.07 48.77 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -109.03 -29.66 8.45 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.216 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' A' ' 11' ' ' SER . 40.2 ttt180 -139.94 115.03 9.71 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 82.3 t90 -110.66 128.52 55.73 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -137.97 140.7 11.42 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 119.505 -1.331 . . . . 0.0 115.213 -174.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 47.9 mm -103.72 110.37 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HG2' HH11 ' A' ' 18' ' ' ARG . 0.0 OUTLIER -104.03 112.48 25.48 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.459 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -78.5 123.86 27.52 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--N 1.311 -1.103 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.386 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.7 p90 . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -67.57 -40.55 84.89 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -166.1 150.68 8.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.53 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -64.59 -48.33 75.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.47 -35.62 79.54 Favored 'General case' 0 C--O 1.192 -1.924 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 120.745 0.307 . . . . 0.0 110.646 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.27 -55.16 11.32 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 87.8 m-85 -63.94 -45.01 91.13 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.77 -53.63 55.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.466 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.16 86.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.323 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -51.42 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.507 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.44 -35.29 79.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.938 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.39 82.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.033 0.445 . . . . 0.0 110.16 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.27 83.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.352 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -59.98 -41.5 92.14 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 m -61.11 -46.85 88.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.477 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -63.31 -45.0 93.4 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.162 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -61.6 -52.29 64.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.493 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 41' ' ' ALA . 11.0 tp -70.37 -39.43 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.711 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.33 -35.72 79.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -86.08 -13.51 47.09 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.843 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.42 18.98 56.17 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 119.95 -1.119 . . . . 0.0 111.808 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.492 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 61.6 m170 -66.27 140.14 58.12 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.79 125.02 21.75 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.427 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 p -106.29 123.83 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 22.0 mmt180 -124.39 134.87 53.0 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.108 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -134.04 115.55 21.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.9 p -122.11 99.92 6.69 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.47 0.652 . . . . 0.0 111.399 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.683 176.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 7' ' ' ASP . 48.8 t80 -115.14 138.71 50.59 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.212 0.53 . . . . 0.0 111.82 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -118.43 115.38 24.53 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.22 175.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 18' ' ' ARG . 22.5 t70 -92.54 120.05 32.61 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.732 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 pt -107.99 151.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.447 0.641 . . . . 0.0 112.426 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -106.96 135.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 116.79 4.38 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.292 -1.432 . . . . 0.0 114.514 -172.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.822 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 31.3 t -156.48 131.61 9.19 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.72 -9.96 59.06 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -104.0 -30.38 10.31 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.357 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.822 ' O ' ' HB3' ' A' ' 11' ' ' SER . 56.1 mtp180 -140.41 111.47 7.07 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.168 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.457 ' N ' ' HD2' ' A' ' 49' ' ' HIS . 2.1 t-105 -127.24 126.31 42.5 Favored 'General case' 0 C--N 1.267 -2.983 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.8 142.16 13.49 Favored Glycine 0 N--CA 1.424 -2.158 0 CA-C-N 115.221 -0.899 . . . . 0.0 113.126 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -102.15 109.54 26.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' HA ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.41 123.01 43.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.761 0.791 . . . . 0.0 112.081 -176.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -72.65 136.31 45.64 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.823 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 19.4 t0 . . . . . 0 C--N 1.313 -0.981 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.5 p90 . . . . . 0 N--CA 1.43 -1.429 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -63.93 -40.15 95.78 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 121.511 0.672 . . . . 0.0 109.956 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 m -158.07 150.62 22.4 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.073 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.74 -47.07 85.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.658 0.266 . . . . 0.0 110.931 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.6 -31.86 72.82 Favored 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.24 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.45 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 120.886 0.374 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.73 -52.17 27.8 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.269 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -66.53 -44.28 82.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.9 -50.45 73.99 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.8 0.333 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.05 87.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.129 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -50.16 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.783 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.7 p -66.52 -39.74 88.78 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.693 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.81 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.334 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.38 90.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.55 94.71 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.466 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.5 m -62.81 -45.62 91.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.409 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.23 -43.5 97.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.333 0.587 . . . . 0.0 110.655 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.488 ' HB1' ' CG ' ' A' ' 49' ' ' HIS . . . -62.62 -46.72 86.98 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.52 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.71 -31.33 51.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.62 -31.9 72.83 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.317 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -84.6 -7.75 59.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.321 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.77 21.33 56.19 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.419 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.488 ' CG ' ' HB1' ' A' ' 44' ' ' ALA . 1.1 p-80 -66.5 147.33 53.44 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.66 133.78 50.93 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.361 -0.936 . . . . 0.0 108.696 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 p -108.05 139.64 29.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.543 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 52' ' ' ARG . 1.8 tpm_? -136.94 121.77 18.72 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.745 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -110.3 109.89 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -123.23 97.28 5.35 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-O 121.518 0.675 . . . . 0.0 110.421 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.31 -1.11 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.578 -179.05 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.484 0 CA-C-O 121.098 0.475 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 27' ' ' TYR . 27.8 t80 -110.91 120.39 42.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -107.59 115.29 29.89 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -92.1 107.83 19.49 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.726 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.37 136.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 -177.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.89 128.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 113.75 3.33 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.863 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.595 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.1 m -152.94 131.75 12.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.08 10.16 0.33 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.6 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 6.4 p30 -137.68 -30.12 0.84 Allowed 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.642 173.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.6 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 47.4 mmm-85 -122.59 100.75 7.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.538 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 87.7 t90 -106.83 128.21 54.07 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -144.31 150.42 22.49 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.522 -174.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.538 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 43.5 mm -116.13 123.2 71.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.445 ' HA ' HG23 ' A' ' 54' ' ' THR . 69.0 ttp85 -109.54 116.1 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.955 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -81.42 106.37 13.33 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 C--N 1.302 -1.457 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.139 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 6.4 t80 . . . . . 0 N--CA 1.441 -0.882 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -62.59 -41.22 98.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -154.11 148.38 25.95 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.231 -0.588 . . . . 0.0 112.172 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.86 -39.58 83.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.984 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.69 -35.65 81.38 Favored 'General case' 0 C--O 1.196 -1.734 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.49 78.82 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.168 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.22 -51.64 43.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.336 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -68.76 -41.75 78.42 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.23 -52.61 64.83 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.832 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -58.4 -52.54 65.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.583 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -66.78 -36.27 82.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.424 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.51 81.45 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.34 0.59 . . . . 0.0 109.747 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.16 83.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.615 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.88 97.6 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.821 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -60.98 -45.18 95.82 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.771 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.62 -47.32 84.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.73 67.03 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.867 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.78 -44.33 96.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.325 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.93 -34.82 76.78 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.027 0.442 . . . . 0.0 111.62 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 3.7 m-85 -86.84 -4.1 59.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.2 18.83 77.88 Favored Glycine 0 CA--C 1.502 -0.72 0 C-N-CA 119.948 -1.12 . . . . 0.0 112.002 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 3.5 m-70 -64.75 139.83 58.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.45 130.89 48.82 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.558 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.2 t -100.15 126.01 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -133.15 112.95 12.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -108.65 115.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 18' ' ' ARG . 7.8 t -112.3 97.24 6.5 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-O 122.382 1.087 . . . . 0.0 111.913 -177.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.304 -1.373 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.077 173.072 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -106.81 140.51 39.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 112.216 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -112.9 114.96 27.69 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -91.85 110.03 21.37 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.749 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 pt -100.52 145.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-O 121.496 0.665 . . . . 0.0 112.045 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.5 m -110.23 136.23 46.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.08 115.53 4.16 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 119.468 -1.349 . . . . 0.0 113.965 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.494 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.5 m -147.67 117.22 7.03 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -71.44 28.22 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -137.33 -34.98 0.69 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.0 ttt180 -142.6 112.91 7.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 128.88 56.02 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.323 -174.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.09 146.57 17.55 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.462 -0.875 . . . . 0.0 114.244 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.46 119.33 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -106.7 135.73 47.73 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 120.569 0.223 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -80.69 109.63 15.41 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.622 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.314 -0.955 0 CA-C-O 121.031 0.443 . . . . 0.0 110.085 179.427 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.54 0.21 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -66.55 -40.5 89.08 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -140.68 142.88 34.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.902 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -67.34 -37.66 83.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.778 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.24 -35.76 81.39 Favored 'General case' 0 C--O 1.191 -1.982 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.49 71.85 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.108 0.255 . . . . 0.0 110.5 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.96 -50.88 53.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.075 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -66.77 -42.1 86.64 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.953 0.406 . . . . 0.0 110.591 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -55.35 -54.58 41.78 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.868 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.6 75.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.505 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.89 84.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.42 -37.89 86.2 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.12 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.95 79.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.606 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.365 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.27 90.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.383 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -61.46 -44.95 96.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.798 0.332 . . . . 0.0 110.186 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -62.77 -42.53 99.73 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -52.08 66.45 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.609 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.06 -42.72 96.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.095 0.474 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.97 -43.25 91.32 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.073 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -88.81 -2.84 58.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.336 -176.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 7.39 66.17 Favored Glycine 0 CA--C 1.505 -0.578 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.501 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -67.36 136.54 54.94 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.406 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 33.3 tt0 -62.4 136.95 58.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.655 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.21 134.21 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.54 117.7 22.57 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.2 mt -102.03 115.1 43.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.2 m -116.48 95.31 4.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-O 121.812 0.815 . . . . 0.0 110.721 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.747 178.098 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -107.51 137.96 44.59 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.201 0.524 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.442 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 12.9 p90 -134.19 127.56 32.22 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.736 175.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.645 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.7 t70 -87.03 108.74 18.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.41 0.624 . . . . 0.0 110.359 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.7 pt -86.86 154.63 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.0 129.24 65.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.21 113.91 3.27 Favored Glycine 0 N--CA 1.431 -1.65 0 C-N-CA 119.589 -1.291 . . . . 0.0 112.743 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 55.3 m -153.87 144.84 22.73 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.14 -40.47 97.68 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -97.04 -28.64 14.06 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.491 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 11' ' ' SER . 39.4 mmm-85 -122.41 94.47 4.3 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 77.1 t90 -107.26 128.32 54.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.38 150.42 22.35 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.572 -1.299 . . . . 0.0 113.683 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.524 HD11 ' CZ3' ' A' ' 15' ' ' TRP . 3.9 mp -103.61 121.46 55.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.645 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 10.7 ttt-85 -115.65 111.13 20.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.106 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 8.0 t60 -77.37 127.06 31.91 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.509 ' CG ' HH12 ' A' ' 18' ' ' ARG . 4.8 t0 . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 10.8 t80 . . . . . 0 N--CA 1.422 -1.848 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -172.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -162.79 145.96 11.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.11 -0.369 . . . . 0.0 111.328 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.57 -33.21 73.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.019 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.58 -37.83 88.83 Favored 'General case' 0 C--O 1.202 -1.434 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.75 84.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 120.625 0.25 . . . . 0.0 111.094 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . . . -67.63 -55.29 13.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.311 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.22 -43.4 86.77 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.76 -53.07 62.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 123.176 0.297 . . . . 0.0 110.98 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.8 83.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.626 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.74 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.6 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.6 p -66.37 -37.01 84.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.743 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.79 -49.47 76.23 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.731 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.04 82.65 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.585 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -64.16 -41.57 97.09 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.567 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 65.4 p -63.72 -38.81 92.52 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.808 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -61.91 -47.77 83.43 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.3 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.543 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.98 -51.52 68.92 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.119 -176.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.01 -42.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 120.955 0.407 . . . . 0.0 110.912 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.77 -37.46 84.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.545 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -88.16 -9.05 54.37 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.15 59.14 Favored Glycine 0 CA--C 1.501 -0.836 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.587 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.543 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 57.6 m170 -67.68 142.3 56.4 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.04 130.48 46.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.13 125.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.951 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 52' ' ' ARG . 30.4 mmt180 -125.85 141.82 51.8 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.56 110.4 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -124.34 98.43 5.75 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.624 0.726 . . . . 0.0 110.372 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 19' ' ' HIS . 14.8 m . . . . . 0 CA--C 1.544 0.724 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.737 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -101.55 131.3 47.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.247 0.546 . . . . 0.0 111.585 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.64 119.58 39.94 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 15.4 t70 -92.28 108.48 19.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.227 0.537 . . . . 0.0 109.594 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.641 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -96.15 141.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.861 -177.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.1 129.42 75.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.26 112.66 3.22 Favored Glycine 0 N--CA 1.432 -1.626 0 C-N-CA 119.62 -1.276 . . . . 0.0 111.642 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.603 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.8 m -132.65 143.64 49.8 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.606 ' HA ' ' NE2' ' A' ' 49' ' ' HIS . 17.9 m-20 -69.81 -15.77 63.17 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.553 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 19.8 m120 -117.08 -33.09 4.82 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.852 -1.139 . . . . 0.0 111.788 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.603 ' O ' ' HB2' ' A' ' 11' ' ' SER . 44.9 mmm-85 -137.66 95.75 3.11 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.87 44.95 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.66 145.89 15.96 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.892 -172.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.5 mt -120.75 102.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.4 ptt85 -112.57 138.96 48.59 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.847 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -78.15 115.37 17.83 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 t0 . . . . . 0 N--CA 1.44 -0.944 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.29 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 p90 . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -69.94 -41.78 74.11 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.004 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m 178.57 -177.04 0.24 Allowed 'General case' 0 C--O 1.243 0.743 0 C-N-CA 125.014 1.326 . . . . 0.0 108.733 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.62 -16.25 62.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.096 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.12 -50.57 69.95 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.49 91.33 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -58.91 3.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.0 -52.31 66.31 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.538 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.98 92.86 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.27 70.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -67.46 -36.14 80.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.563 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.36 -48.73 79.94 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.321 0.581 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.55 84.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.04 93.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.124 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -62.05 -42.2 98.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.41 -45.13 92.41 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.259 0.552 . . . . 0.0 110.298 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . . . -61.81 -50.67 71.4 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.751 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.65 -43.25 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.7 -38.98 89.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.763 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.489 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 10.8 t80 -83.84 -4.32 58.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.096 0.474 . . . . 0.0 111.326 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.22 23.43 56.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.606 ' NE2' ' HA ' ' A' ' 12' ' ' ASP . 1.3 m-70 -65.74 129.57 40.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.25 144.38 55.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -112.11 139.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-O 121.475 0.655 . . . . 0.0 111.09 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.39 113.94 18.85 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.8 tp -105.07 110.65 31.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.357 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -118.25 94.6 4.55 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-O 121.562 0.696 . . . . 0.0 111.257 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.9 t . . . . . 0 C--N 1.305 -1.336 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.532 173.733 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.405 0.622 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -116.17 127.59 54.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.224 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -100.23 115.86 30.88 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 33.7 t70 -93.34 107.07 18.96 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.704 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -82.02 155.09 4.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.693 -175.485 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.07 132.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.15 111.52 3.37 Favored Glycine 0 CA--C 1.491 -1.445 0 C-N-CA 118.474 -1.822 . . . . 0.0 113.231 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.712 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 60.0 m -156.92 124.98 5.55 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 113.886 -1.157 . . . . 0.0 108.187 178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.77 -40.38 79.73 Favored 'General case' 0 C--O 1.185 -2.341 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.513 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 27.9 p-10 -91.44 -16.98 26.49 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.499 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.712 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.4 ttt180 -140.0 97.9 3.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.508 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 30.3 t-105 -103.03 131.2 50.18 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.582 -0.847 . . . . 0.0 112.51 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.13 132.88 9.59 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.778 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.8 mt -108.72 113.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 68.9 ttp85 -114.24 130.42 56.63 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.883 0.373 . . . . 0.0 111.291 -176.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -80.81 119.53 23.51 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.42 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 p90 . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -64.33 -41.06 96.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.399 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.9 t 174.39 157.74 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.32 -49.71 75.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 110.642 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.13 -35.65 80.2 Favored 'General case' 0 C--O 1.195 -1.798 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.01 89.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.13 -51.19 48.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.282 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -65.38 -42.26 92.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.718 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -57.09 -54.08 50.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.43 84.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.442 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.84 84.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.388 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.74 -37.05 83.87 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.691 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.7 75.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.123 0.487 . . . . 0.0 110.488 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.87 89.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.932 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.25 96.18 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 t -63.1 -41.56 99.4 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.487 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 8.2 t30 -60.36 -46.51 89.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' CA ' ' HB2' ' A' ' 49' ' ' HIS . . . -61.62 -51.33 68.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.01 -41.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.99 -39.84 75.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.487 ' HD1' ' O ' ' A' ' 43' ' ' ASN . 50.2 m-85 -87.54 -8.99 55.66 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.84 68.17 Favored Glycine 0 C--N 1.313 -0.705 0 C-N-CA 120.15 -1.024 . . . . 0.0 111.587 -176.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 13' ' ' ASN . 39.3 m170 -64.95 126.22 27.33 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 14' ' ' ARG . 11.5 pt-20 -61.47 130.44 46.05 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.256 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.4 p -124.29 130.52 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 121.505 0.669 . . . . 0.0 111.074 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 52' ' ' ARG . 6.3 mmt180 -116.67 135.38 53.83 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.278 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.3 mp -110.53 112.31 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 p -119.66 97.45 5.64 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-O 121.945 0.879 . . . . 0.0 111.312 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.308 -1.224 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.344 177.409 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.957 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -101.69 131.74 47.78 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.106 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -104.22 116.41 32.13 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.065 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.7 109.32 20.31 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.237 0.541 . . . . 0.0 110.067 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -96.71 141.94 14.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.279 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.37 128.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 114.65 3.55 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 119.876 -1.154 . . . . 0.0 113.809 -175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 50.1 m -150.59 138.24 19.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.96 -7.8 43.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.435 HD22 ' C ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -109.25 -31.82 7.43 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.217 176.732 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 11' ' ' SER . 47.0 mmm-85 -132.38 116.72 17.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.058 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.605 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 36.6 t90 -124.68 127.89 47.99 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.42 150.23 22.45 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 119.562 -1.304 . . . . 0.0 113.767 -175.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.524 HD11 ' CH2' ' A' ' 15' ' ' TRP . 41.4 mm -105.71 115.24 47.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 122.996 0.518 . . . . 0.0 109.839 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -106.64 116.01 31.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.029 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -74.84 108.88 7.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.642 -178.071 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -66.82 -41.17 87.92 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -137.78 140.99 40.9 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.597 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 54.5 tttp -69.32 -38.84 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.092 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.41 -34.31 77.88 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.6 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.25 90.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.73 0.3 . . . . 0.0 111.035 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -52.57 31.19 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.037 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -63.97 -44.16 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.63 -49.02 79.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.023 0.439 . . . . 0.0 110.75 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.74 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.716 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.4 70.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.129 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.93 -36.22 82.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.07 0.462 . . . . 0.0 110.253 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.46 77.23 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.335 0.588 . . . . 0.0 110.44 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.88 85.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.474 176.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -61.41 -38.1 85.9 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.216 177.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.2 m -60.6 -45.24 94.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -43.89 97.56 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.195 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.75 71.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.995 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.7 mm -62.49 -43.61 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.097 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.59 -32.81 71.9 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.515 0.674 . . . . 0.0 110.47 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.433 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-85 -86.14 -9.24 57.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.13 17.7 77.79 Favored Glycine 0 CA--C 1.5 -0.868 0 C-N-CA 120.222 -0.989 . . . . 0.0 111.259 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 5.6 m-70 -66.05 140.17 58.24 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.58 122.39 14.56 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 123.473 0.483 . . . . 0.0 110.281 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 75.0 t -115.69 129.47 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -126.86 126.74 43.83 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -107.32 115.79 49.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.4 m -108.89 98.07 7.61 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.086 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.313 -0.994 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.456 175.505 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 121.299 0.571 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -112.43 139.52 47.92 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.455 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -137.45 123.78 20.65 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.431 0.634 . . . . 0.0 110.122 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.521 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 8.6 t0 -88.8 112.91 23.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.564 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.752 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.36 155.17 3.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-O 121.542 0.687 . . . . 0.0 112.578 -175.09 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.0 129.94 59.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.396 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.78 113.95 3.47 Favored Glycine 0 N--CA 1.433 -1.544 0 C-N-CA 119.788 -1.196 . . . . 0.0 112.985 -176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.627 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.2 m -151.26 136.77 17.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.588 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 4.0 m-20 -70.33 -11.95 61.25 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -176.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -103.91 -32.06 9.46 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.822 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 11' ' ' SER . 35.2 ttt180 -141.9 122.1 13.87 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 34.6 t90 -115.04 127.36 55.59 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.35 137.3 12.49 Favored Glycine 0 CA--C 1.503 -0.68 0 C-N-CA 120.606 -0.807 . . . . 0.0 114.114 -172.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mt -109.06 108.18 24.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -115.26 112.89 23.13 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 111.297 -177.206 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -75.65 132.96 40.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.511 ' CG ' HH12 ' A' ' 18' ' ' ARG . 17.1 t0 . . . . . 0 C--N 1.315 -0.931 0 CA-C-O 121.08 0.467 . . . . 0.0 110.49 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 p90 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -65.69 -41.92 91.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.683 0.278 . . . . 0.0 111.526 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -173.74 154.47 2.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.175 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 62.6 tttp -63.46 -49.03 75.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.09 -35.59 80.13 Favored 'General case' 0 C--O 1.192 -1.962 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.355 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.72 97.84 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -49.72 57.23 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.465 ' HD1' ' O ' ' A' ' 30' ' ' LYS . 72.5 m-85 -64.59 -46.58 82.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.345 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.54 -54.91 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.673 0.273 . . . . 0.0 111.339 -177.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.28 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.43 81.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -66.07 -35.55 80.83 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.724 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.09 77.77 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.324 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.2 86.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.622 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.86 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.006 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -61.25 -45.64 93.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -62.95 -40.58 98.11 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.38 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -58.75 -52.13 67.0 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.917 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -69.63 -37.55 74.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.027 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -61.19 -45.09 96.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.566 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.681 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 46.6 t80 -86.61 -2.06 58.18 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.831 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.06 30.08 48.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.767 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.681 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 22.3 m170 -66.08 133.85 51.6 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 39.1 tt0 -63.55 117.59 6.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.424 -0.91 . . . . 0.0 108.64 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 57.6 t -97.68 120.76 47.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 pt -105.01 115.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 CA-C-O 121.44 0.638 . . . . 0.0 110.726 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.0 m -123.01 94.65 4.33 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-O 121.669 0.747 . . . . 0.0 109.118 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.31 -1.116 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.434 179.766 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.011 0.434 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -106.37 131.0 54.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.428 ' OH ' ' HA ' ' A' ' 34' ' ' PHE . 34.0 p90 -115.74 129.82 56.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.9 108.28 19.61 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.315 0.579 . . . . 0.0 110.49 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -84.76 153.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.491 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -115.27 129.54 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.08 114.7 3.62 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 119.607 -1.283 . . . . 0.0 114.206 -174.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.1 m -155.28 143.61 20.28 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.76 -23.13 64.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -103.13 -29.5 11.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.992 0.425 . . . . 0.0 111.433 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 11' ' ' SER . 49.1 mmm-85 -135.63 100.01 4.36 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 5.4 t90 -107.1 126.05 51.86 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.72 137.45 12.46 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.368 -173.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.7 mt -109.03 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -108.45 127.41 53.89 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.801 -177.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.459 ' HB2' HG12 ' A' ' 55' ' ' VAL . 48.4 t-80 -81.97 120.28 25.03 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.663 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 N--CA 1.434 -1.26 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 178.777 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -66.37 -39.41 89.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.677 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -153.72 149.0 27.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.783 0.325 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -63.88 -30.5 71.58 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.5 -38.97 89.27 Favored 'General case' 0 C--O 1.197 -1.697 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.135 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.88 85.7 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.625 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.53 -57.86 3.83 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.314 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 68.2 m-85 -62.06 -45.73 92.26 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.521 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.11 -53.73 55.07 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.987 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.019 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.74 80.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.802 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.3 p -66.11 -35.29 80.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.06 83.55 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.156 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.417 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.2 93.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.8 m -61.9 -46.01 91.22 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.916 0.389 . . . . 0.0 110.289 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.43 -43.37 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.07 -49.98 73.79 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.87 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 tt -66.65 -31.28 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.232 0.539 . . . . 0.0 110.263 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.94 -36.86 82.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.314 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -86.15 -6.9 58.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.217 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.87 39.5 11.75 Favored Glycine 0 CA--C 1.503 -0.695 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.262 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.515 ' CD2' ' HB3' ' A' ' 15' ' ' TRP . 12.5 p-80 -67.94 141.18 56.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.614 0.245 . . . . 0.0 110.567 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.57 127.75 33.57 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.1 p -94.44 133.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.397 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.01 118.32 24.23 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -106.6 114.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -117.57 94.88 4.71 Favored 'General case' 0 N--CA 1.425 -1.702 0 CA-C-O 121.62 0.724 . . . . 0.0 110.273 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 19' ' ' HIS . 10.6 m . . . . . 0 C--N 1.312 -1.065 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.868 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -101.59 120.98 41.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.532 0.682 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -108.01 116.46 32.0 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -92.1 108.04 19.65 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -99.57 142.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.052 -176.148 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.1 m -113.08 135.22 53.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.006 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.26 115.9 3.79 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 119.798 -1.191 . . . . 0.0 114.183 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.62 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 30.3 t -148.58 137.24 21.42 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.98 -2.96 17.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.623 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.0 -31.88 3.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.329 177.07 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.62 ' O ' ' HB3' ' A' ' 11' ' ' SER . 27.1 mmm-85 -128.66 95.39 4.1 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.54 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -103.65 129.37 50.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.47 148.51 20.2 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.739 -1.22 . . . . 0.0 114.14 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mp -107.56 118.24 54.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -115.54 113.25 23.38 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.859 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -82.09 104.95 12.8 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 CA--C 1.512 -0.481 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.637 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 p90 . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' SER . 15.8 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.256 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' SER . 22.7 t 172.07 146.49 0.04 OUTLIER 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.29 -45.3 88.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 110.505 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -65.68 -36.15 82.81 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.78 87.76 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 120.829 0.347 . . . . 0.0 110.629 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.63 39.79 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.327 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -67.08 -41.26 86.63 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.2 -54.65 44.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.009 0.433 . . . . 0.0 110.509 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.58 93.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.206 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.434 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -59.21 -50.54 73.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.129 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.61 -37.33 82.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.855 0.359 . . . . 0.0 111.212 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.0 77.7 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.353 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.76 88.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.58 94.36 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.642 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 m -61.03 -49.51 77.11 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.802 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -64.73 -42.55 95.13 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.581 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.51 -51.84 67.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 111.34 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mm -65.2 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.362 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -58.64 -39.54 80.84 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.241 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -86.6 -17.59 33.54 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.636 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 23.34 30.47 Favored Glycine 0 C--N 1.316 -0.568 0 C-N-CA 119.862 -1.161 . . . . 0.0 111.184 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.581 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 63.7 m170 -65.65 137.63 57.46 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.69 138.95 57.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.064 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.96 134.88 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.289 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -118.91 134.41 55.19 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -125.51 117.47 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.519 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -130.74 95.01 3.74 Favored 'General case' 0 N--CA 1.417 -2.103 0 CA-C-O 121.887 0.851 . . . . 0.0 110.941 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.385 178.052 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -102.8 133.44 47.85 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.702 . . . . 0.0 112.444 -174.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -122.32 116.8 24.69 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.19 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -92.55 107.03 18.91 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -92.63 145.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.045 -174.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 m -111.45 130.95 64.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 173.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.57 112.63 3.04 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 119.657 -1.259 . . . . 0.0 113.171 -175.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -153.54 142.73 21.42 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 176.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.696 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 7.6 p-10 -71.57 -7.96 50.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.943 0.401 . . . . 0.0 111.778 -178.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.5 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 3.7 p30 -112.89 -30.59 6.99 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.724 178.178 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 55.7 mmm-85 -129.4 111.4 12.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.444 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 68.7 t90 -116.84 132.98 56.56 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.67 132.25 4.67 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 119.428 -1.367 . . . . 0.0 115.992 -173.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.444 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 50.5 mm -104.65 105.85 19.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.102 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -115.94 116.82 28.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.653 0.263 . . . . 0.0 110.946 -176.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -82.48 92.75 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.065 0.46 . . . . 0.0 112.027 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.308 -1.217 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.831 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.5 p90 . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -66.58 -42.4 87.04 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p 176.4 150.7 0.14 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.547 0.339 . . . . 0.0 110.487 178.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.724 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.71 -37.27 84.36 Favored 'General case' 0 C--O 1.198 -1.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -35.1 78.57 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.43 -53.2 25.18 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.298 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -68.03 -43.7 78.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.83 -53.98 52.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.887 0.375 . . . . 0.0 110.734 -178.364 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.093 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.75 76.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.3 m -66.85 -36.89 83.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.028 0.442 . . . . 0.0 110.626 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.42 80.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.51 78.02 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.166 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.66 89.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.764 178.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -61.86 -46.2 90.5 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 178.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.21 -39.04 93.16 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.187 177.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.76 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -58.37 -52.11 66.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.628 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -67.27 -40.78 85.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.253 0.549 . . . . 0.0 109.788 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 ttmt -57.52 -44.97 85.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.083 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.668 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 44.3 t80 -92.68 -6.1 49.97 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -175.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.9 32.59 23.48 Favored Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 119.808 -1.187 . . . . 0.0 111.987 -178.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.76 ' CG ' ' HA ' ' A' ' 44' ' ' ALA . 23.5 m170 -66.51 140.99 58.03 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.518 179.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.74 123.28 18.01 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.197 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.63 125.5 48.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.218 0.533 . . . . 0.0 111.766 -175.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -130.89 130.86 44.07 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.272 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mp -125.82 116.9 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -126.11 97.04 4.93 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.757 0.789 . . . . 0.0 111.886 -178.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--N 1.315 -0.913 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.199 177.531 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.58 ' HB3' ' OD1' ' A' ' 70' ' ' ASN . 15.2 tpt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.704 0.288 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.1 -138.36 9.12 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.654 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -159.96 113.15 2.15 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.71 81.94 8.64 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.407 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -107.59 125.03 50.81 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.922 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.06 128.38 55.85 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.714 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -87.84 108.67 19.27 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.535 HG22 HD12 ' A' ' 17' ' ' ILE . 29.6 pt -100.1 142.38 15.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.388 -175.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -110.63 134.33 53.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.54 113.56 3.55 Favored Glycine 0 N--CA 1.426 -2.01 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.334 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 69.5 m -155.46 127.3 7.49 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.511 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 9.9 p-10 -69.88 -8.41 48.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 20.3 m120 -109.73 -30.54 7.82 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.682 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.3 mmm-85 -138.32 96.51 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 89.6 t90 -101.76 131.26 48.15 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.15 149.93 21.9 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 118.979 -1.581 . . . . 0.0 113.799 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.535 HD12 HG22 ' A' ' 8' ' ' ILE . 48.0 mm -115.44 122.84 70.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 122.381 0.272 . . . . 0.0 110.324 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 54' ' ' THR . 63.7 ttp85 -112.42 120.2 40.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.356 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.566 ' HB2' HG12 ' A' ' 55' ' ' VAL . 30.2 t-80 -74.81 117.19 16.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -67.41 94.54 0.4 Allowed 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 123.993 0.808 . . . . 0.0 109.366 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -70.1 -22.27 63.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.215 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -116.82 101.41 53.52 Favored Pre-proline 0 C--N 1.314 -0.952 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -43.16 93.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 123.769 2.979 . . . . 0.0 114.059 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 p -69.76 -38.37 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.569 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.12 1.74 84.16 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.265 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -99.81 100.49 11.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.092 0.472 . . . . 0.0 111.698 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -159.72 138.14 10.48 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.543 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 m -65.55 -40.65 93.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 t -171.77 158.87 5.07 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.735 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.54 -45.93 88.33 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.86 -36.81 83.17 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.072 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.74 85.94 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.804 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.16 -51.72 35.35 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -64.79 -44.23 90.62 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -58.09 -53.61 56.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.919 0.39 . . . . 0.0 110.706 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.69 92.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.48 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.76 72.28 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.628 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.68 -38.0 85.91 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.87 0.366 . . . . 0.0 111.014 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.88 83.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.608 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.12 86.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.41 95.06 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -61.22 -45.88 92.75 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 121.03 0.443 . . . . 0.0 110.162 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -63.53 -40.81 97.99 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.682 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -58.64 -52.84 63.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.254 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.11 -37.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-O 121.26 0.553 . . . . 0.0 110.006 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.705 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 20.2 t80 -92.14 -3.21 55.96 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.18 22.03 53.22 Favored Glycine 0 N--CA 1.464 0.514 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.825 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 41.3 m170 -66.05 135.24 54.37 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.26 132.96 55.58 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -104.02 120.1 53.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.074 0.464 . . . . 0.0 111.029 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -116.92 118.23 31.88 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.51 110.96 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 34.4 m -127.74 92.99 3.59 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.593 0.711 . . . . 0.0 109.388 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 19' ' ' HIS . 30.9 m -128.8 87.88 53.48 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.228 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 19' ' ' HIS . 31.3 Cg_exo -60.89 140.08 88.43 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.107 1.871 . . . . 0.0 111.78 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -136.28 -114.48 1.35 Allowed Glycine 0 N--CA 1.44 -1.038 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.349 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' HA ' HD12 ' A' ' 65' ' ' LEU . 7.9 t30 -76.68 -8.47 57.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.251 0.548 . . . . 0.0 110.543 -178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -83.4 -7.74 59.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.164 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.36 66.28 2.69 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.989 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -63.24 -41.63 99.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.716 0.294 . . . . 0.0 110.726 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.18 -36.13 83.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.2 p -87.37 28.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.689 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 45.9 38.43 4.48 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.395 0.678 . . . . 0.0 112.275 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 58' ' ' ASN . 2.7 mm? 64.0 81.99 0.19 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.002 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.66 57.52 4.2 Favored Glycine 0 CA--C 1.51 -0.263 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.095 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.561 HG12 HG22 ' A' ' 69' ' ' THR . 28.6 t -92.67 -77.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.462 HG13 ' C ' ' A' ' 67' ' ' VAL . 2.8 pp 42.78 23.54 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.561 HG22 HG12 ' A' ' 67' ' ' VAL . 9.6 t -98.31 81.78 2.81 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.967 0.889 . . . . 0.0 110.93 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.58 ' OD1' ' HB3' ' A' ' 1' ' ' MET . 7.9 p30 . . . . . 0 C--O 1.254 1.312 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.898 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtm . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.515 0.198 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.68 -58.38 4.73 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.935 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -67.06 130.46 43.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -145.72 99.02 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.117 0.484 . . . . 0.0 111.065 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 27' ' ' TYR . 86.8 t80 -128.43 132.99 48.46 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.12 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 44.5 p90 -135.61 122.21 20.82 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.735 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.2 t0 -86.64 126.4 34.5 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.542 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.0 pt -102.18 154.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -123.74 129.4 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.831 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.52 114.79 2.33 Favored Glycine 0 N--CA 1.441 -1.028 0 C-N-CA 119.413 -1.375 . . . . 0.0 114.216 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.558 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 47.2 m -124.45 148.83 47.38 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.74 -9.78 58.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -113.82 -29.36 7.1 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 11' ' ' SER . 34.8 ttt180 -135.65 122.17 20.72 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.404 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 70.8 t90 -123.61 129.22 50.82 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.827 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -142.9 147.2 18.54 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 119.956 -1.116 . . . . 0.0 114.011 -175.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.404 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 49.7 mm -103.93 117.47 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.735 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 1.3 ttt-85 -109.67 104.58 13.6 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.887 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -81.68 129.37 34.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.724 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' CG ' HH12 ' A' ' 18' ' ' ARG . 2.8 m-20 -71.03 105.69 3.41 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.98 -37.74 88.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.701 0.762 . . . . 0.0 109.28 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -112.59 92.18 19.21 Favored Pre-proline 0 C--N 1.311 -1.09 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.09 120.12 5.18 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.959 2.44 . . . . 0.0 113.132 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 p -70.47 -36.84 74.1 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.618 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.93 -21.78 32.07 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 113.915 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.17 126.44 34.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.991 0.424 . . . . 0.0 111.897 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.557 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 44.3 p90 -154.04 150.6 28.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.913 176.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -69.15 -40.85 77.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.513 0.673 . . . . 0.0 109.652 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.1 t -167.72 142.31 3.67 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.981 -1.008 . . . . 0.0 108.826 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 28.2 ttpp -65.86 -43.58 87.97 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.21 -35.37 80.26 Favored 'General case' 0 C--O 1.194 -1.865 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.514 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.68 83.44 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 123.221 0.326 . . . . 0.0 110.926 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.84 61.44 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 91.8 m-85 -65.45 -40.69 93.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 111.127 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.63 -54.9 40.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.105 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.75 85.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.29 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.349 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -67.87 -36.42 80.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.292 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.58 96.89 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.135 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.95 85.05 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.6 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.28 99.12 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.433 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 p -62.78 -45.92 90.42 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.671 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -63.06 -41.09 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.537 . . . . 0.0 109.805 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -59.89 -52.28 66.12 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.966 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -69.78 -40.22 78.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.502 -178.389 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.73 -41.29 99.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.646 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 31.4 t80 -86.92 -5.81 58.98 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.2 30.92 35.98 Favored Glycine 0 CA--C 1.502 -0.739 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.646 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 33.7 m170 -65.54 143.02 57.91 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.89 118.95 7.9 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.1 126.86 49.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.445 0.64 . . . . 0.0 111.62 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 69.6 mmt-85 -128.36 134.34 48.84 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.393 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.3 mm -126.26 117.21 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 p -123.99 98.66 5.89 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 121.392 0.615 . . . . 0.0 111.294 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 p -123.89 89.57 51.45 Favored Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.217 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.6 145.23 63.26 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.757 2.305 . . . . 0.0 112.103 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.65 176.02 28.3 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.734 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -90.19 20.41 4.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.461 0.648 . . . . 0.0 110.667 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.49 20.99 2.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.336 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.52 -56.26 0.87 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.497 -176.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.9 m -75.07 125.28 28.6 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -78.61 89.37 4.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.935 0.398 . . . . 0.0 110.25 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.5 t -88.8 159.85 17.54 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.407 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -74.78 140.5 44.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.47 136.52 53.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.688 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.89 -5.43 2.24 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.241 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.6 m -83.14 103.04 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.578 0.704 . . . . 0.0 110.901 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.0 pt -95.14 -8.85 9.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.32 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.4 m -98.42 115.27 28.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.962 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.255 1.361 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.748 178.764 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.13 -101.52 1.03 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.997 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -165.93 143.55 5.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.08 110.3 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.727 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -118.18 126.23 51.79 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.649 0.738 . . . . 0.0 111.78 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.471 ' HE1' ' CE2' ' A' ' 34' ' ' PHE . 46.8 p90 -118.71 136.16 54.09 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.577 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -90.53 115.19 27.48 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.372 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.672 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.19 143.99 10.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.972 -178.008 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.02 131.84 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.17 114.89 3.79 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.532 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.66 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.9 m -153.29 129.16 10.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.97 -10.24 57.91 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -107.1 -29.13 9.57 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.199 -1.0 . . . . 0.0 110.122 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.66 ' O ' ' HB2' ' A' ' 11' ' ' SER . 50.0 mmm-85 -136.89 100.27 4.26 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.48 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.703 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 31.3 t90 -101.81 126.37 48.67 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.261 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.38 141.44 12.75 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.476 -0.868 . . . . 0.0 113.326 -174.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.678 HD11 ' CZ3' ' A' ' 15' ' ' TRP . 21.0 mt -115.06 124.26 71.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 54' ' ' THR . 66.0 ttp85 -120.46 120.39 35.78 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.24 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -75.42 123.48 25.48 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 12.7 t0 -66.34 118.33 9.87 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.984 -173.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -87.18 -5.24 59.05 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.508 -175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -135.61 108.46 10.08 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.79 110.03 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.003 2.469 . . . . 0.0 113.37 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -88.15 -18.41 28.83 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.105 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.71 -44.96 2.09 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-N 115.506 -0.77 . . . . 0.0 114.676 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.07 126.33 30.79 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -176.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -154.21 138.43 16.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.124 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -68.85 -41.22 78.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.817 0.342 . . . . 0.0 111.281 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -171.44 151.73 3.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.576 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -65.06 -42.78 93.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.78 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.44 -36.53 83.03 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.662 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.44 81.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 120.624 0.25 . . . . 0.0 110.665 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.25 5.37 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.471 ' CE2' ' HE1' ' A' ' 6' ' ' TYR . 85.5 m-85 -63.99 -46.77 83.11 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.96 -53.96 52.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 -177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.08 85.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.862 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.76 68.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.809 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.42 -36.11 82.0 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.52 75.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.059 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.723 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.703 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -62.62 -37.73 87.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.002 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 m -61.26 -46.19 91.41 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.987 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.36 -44.11 95.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.849 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.25 -51.06 71.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.938 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -68.84 -38.11 78.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 0.0 111.254 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.14 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -87.62 -6.05 58.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.97 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.05 20.77 79.16 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.857 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.439 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 60.7 m170 -65.52 137.08 57.17 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.15 126.43 27.49 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.261 -0.575 . . . . 0.0 109.716 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 17.7 m -109.81 127.42 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 121.353 0.597 . . . . 0.0 110.1 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' NH1' ' HA ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -114.69 115.94 27.9 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.9 mt -105.94 109.86 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 18' ' ' ARG . 27.1 m -119.05 96.36 5.2 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 121.644 0.735 . . . . 0.0 109.547 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m -116.93 87.87 23.91 Favored Pre-proline 0 C--N 1.306 -1.323 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.029 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -73.71 148.55 41.79 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.29 1.994 . . . . 0.0 111.971 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.92 -9.71 6.7 Favored Glycine 0 N--CA 1.438 -1.181 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' OD1' ' HB3' ' A' ' 61' ' ' SER . 24.0 p-10 -99.93 163.08 12.6 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.115 -0.543 . . . . 0.0 110.538 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -81.72 113.19 19.53 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.454 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.48 69.94 1.19 Allowed Glycine 0 C--N 1.341 0.809 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.464 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.49 ' HB3' ' OD1' ' A' ' 58' ' ' ASN . 45.9 p -87.25 -15.67 37.47 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -109.28 -63.47 1.35 Allowed 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.544 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.48 2.28 0.54 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 t30 73.93 -39.04 0.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.29 0.636 . . . . 0.0 112.278 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.56 -165.42 0.21 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.052 0.541 . . . . 0.0 111.775 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.78 158.97 31.91 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.2 108.71 19.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.659 0.743 . . . . 0.0 111.438 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.0 pt -97.37 0.99 10.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.484 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.5 t -88.61 120.22 29.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.389 0.614 . . . . 0.0 111.185 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.316 -0.885 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.507 178.71 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.696 0.284 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.93 84.35 0.99 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.452 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -164.41 109.41 0.98 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.02 91.08 8.58 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -107.99 137.69 45.55 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.043 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -123.28 125.12 44.46 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.65 110.66 21.82 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.446 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 pt -88.53 151.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.864 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -113.8 130.79 67.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 176.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.89 113.95 3.75 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 119.459 -1.353 . . . . 0.0 112.017 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.605 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 73.2 m -151.44 138.87 19.47 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.559 -0.32 . . . . 0.0 110.659 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.468 ' HA ' ' NE2' ' A' ' 49' ' ' HIS . 10.6 m-20 -70.21 -22.98 62.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -112.72 -32.85 6.29 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.13 -1.028 . . . . 0.0 113.003 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 11' ' ' SER . 51.8 mmm-85 -127.48 86.91 2.55 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.17 0.51 . . . . 0.0 110.459 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -98.73 133.17 43.43 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.506 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -150.37 148.65 20.07 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.51 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.18 121.64 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -113.1 119.72 38.82 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.92 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' HB3' ' HA ' ' A' ' 55' ' ' VAL . 43.3 t-80 -78.34 122.44 25.76 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -84.32 110.65 18.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -86.6 -6.35 58.89 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -138.05 168.11 17.45 Favored Pre-proline 0 C--N 1.309 -1.189 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -71.31 67.32 2.71 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.11 1.873 . . . . 0.0 112.615 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -100.52 -39.1 8.09 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.732 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.54 94.75 0.97 Allowed Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.461 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -85.06 105.04 15.51 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.21 0.529 . . . . 0.0 109.665 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -93.79 150.08 20.69 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.098 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -62.9 -42.66 99.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 p -153.18 149.89 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.019 0.438 . . . . 0.0 111.112 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 55.1 tttp -64.8 -42.61 94.88 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.977 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.03 -37.92 87.08 Favored 'General case' 0 C--O 1.203 -1.374 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.432 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.94 76.03 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.152 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.99 -54.44 15.23 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.133 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' HD1' ' O ' ' A' ' 30' ' ' LYS . 84.5 m-85 -65.68 -44.04 87.43 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.82 -55.41 35.48 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.885 0.374 . . . . 0.0 111.065 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.83 77.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -45.06 94.41 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.99 -36.26 81.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.302 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.66 98.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 109.679 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.79 89.7 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.361 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.53 88.16 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 p -64.6 -37.2 86.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.346 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.211 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.83 -50.48 73.63 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.182 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.9 mm -63.56 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.151 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.48 -43.11 93.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.623 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 8.7 t80 -86.8 -2.65 58.73 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.19 28.06 50.42 Favored Glycine 0 CA--C 1.509 -0.327 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.64 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.591 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 48.2 m170 -67.92 135.84 53.06 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.86 138.06 58.43 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.51 113.71 44.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.138 0.494 . . . . 0.0 112.092 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 52' ' ' ARG . 49.7 mmt-85 -111.19 138.77 47.22 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.691 174.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.4 mt -128.34 115.93 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.618 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.6 p -126.63 96.64 4.73 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-O 121.377 0.608 . . . . 0.0 109.867 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.481 ' HA ' ' HB3' ' A' ' 19' ' ' HIS . 3.5 p -115.58 83.54 11.23 Favored Pre-proline 0 C--N 1.31 -1.123 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.842 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 19' ' ' HIS . 83.1 Cg_endo -87.7 152.75 7.48 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 122.41 2.073 . . . . 0.0 112.139 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.13 -37.35 0.7 Allowed Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 175.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -177.22 110.88 0.08 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.824 0.85 . . . . 0.0 109.282 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -87.23 -10.43 52.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.217 0.532 . . . . 0.0 110.458 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.47 -41.55 2.46 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.094 176.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 p -72.73 136.58 45.55 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 120.857 0.36 . . . . 0.0 110.251 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -79.04 97.06 5.96 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.835 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 m -148.58 82.48 1.46 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.319 0.58 . . . . 0.0 110.419 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -99.04 111.23 23.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.246 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.4 mt -78.56 -75.58 0.22 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.3 175.66 42.01 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.112 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.3 m -88.36 127.03 41.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.056 0.455 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.9 pt -94.17 9.91 4.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.941 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.4 m -89.36 111.65 22.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.137 0.494 . . . . 0.0 110.628 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.405 HD22 ' HA ' ' A' ' 70' ' ' ASN . 11.0 m120 . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.344 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.896 0.379 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.89 22.66 73.98 Favored Glycine 0 C--O 1.237 0.327 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.322 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.496 ' HG2' ' OH ' ' A' ' 27' ' ' TYR . 66.2 tttt -67.6 137.9 56.01 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.08 91.69 8.49 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.616 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 78.7 t80 -130.23 132.21 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.655 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.511 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 24.5 p90 -120.23 131.06 54.8 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 40.7 t0 -86.53 107.69 18.22 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.614 -174.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -92.87 154.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.636 0.731 . . . . 0.0 112.74 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.77 132.68 67.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.612 ' HA2' ' CZ3' ' A' ' 15' ' ' TRP . . . -109.47 119.29 5.44 Favored Glycine 0 CA--C 1.495 -1.186 0 C-N-CA 119.397 -1.382 . . . . 0.0 112.494 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.708 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.2 m -154.67 128.53 8.75 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-O 121.098 0.475 . . . . 0.0 111.594 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 -12.3 61.53 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.998 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -107.34 -35.14 6.88 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 118.298 -1.361 . . . . 0.0 111.317 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.708 ' O ' ' HB2' ' A' ' 11' ' ' SER . 38.0 ttm105 -143.9 108.11 4.77 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.007 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.612 ' CZ3' ' HA2' ' A' ' 10' ' ' GLY . 25.1 t-105 -102.86 129.65 49.62 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.864 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -129.88 136.95 9.21 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.092 -1.052 . . . . 0.0 113.827 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.502 HD11 ' HE1' ' A' ' 15' ' ' TRP . 48.8 mm -102.22 111.58 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 109.4 176.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.607 ' HG2' HH11 ' A' ' 18' ' ' ARG . 9.9 ttt-85 -108.72 119.34 39.24 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.3 -177.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -78.05 127.0 31.66 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 122.262 -0.273 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -96.97 103.14 15.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.03 -16.6 27.65 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.644 0.735 . . . . 0.0 110.404 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -121.01 91.55 47.97 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.12 -0.946 . . . . 0.0 108.561 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -39.73 102.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 124.084 3.19 . . . . 0.0 114.313 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -111.28 -34.82 6.03 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.94 177.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.4 107.55 1.86 Allowed Glycine 0 N--CA 1.432 -1.613 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.586 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.71 164.21 23.9 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.616 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 4.2 p90 -137.66 137.66 38.64 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -64.59 -40.37 95.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.088 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -143.62 142.71 31.16 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.432 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 41.2 ttmt -64.28 -43.51 94.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.154 0.502 . . . . 0.0 109.844 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.22 -32.07 73.55 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.166 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.01 91.68 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.877 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.68 -50.72 41.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.155 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 62.4 m-85 -62.73 -46.89 86.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.55 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.49 84.81 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.528 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 -47.93 83.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.11 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.21 -36.61 82.07 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.895 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.02 97.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 121.649 0.737 . . . . 0.0 110.152 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.23 -36.06 80.87 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.565 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.24 99.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.944 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 p -63.61 -38.23 90.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.128 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.51 -41.24 98.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.293 0.568 . . . . 0.0 110.04 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.536 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -59.21 -51.74 68.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.578 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.62 -31.05 44.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.218 0.532 . . . . 0.0 110.387 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.16 -45.41 94.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.745 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -88.86 -3.95 58.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.29 25.54 65.8 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 120.109 -1.044 . . . . 0.0 111.815 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.536 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 65.7 m170 -65.62 138.65 58.16 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.48 121.18 12.62 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.49 129.83 54.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-O 121.027 0.441 . . . . 0.0 110.132 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -121.85 130.5 53.42 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -130.84 113.42 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.3 p -121.78 97.64 5.58 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.831 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.5 92.88 5.45 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -91.52 137.79 2.05 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 122.584 2.189 . . . . 0.0 111.772 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.49 125.73 4.43 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.728 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.3 t30 62.57 29.7 16.99 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.15 0.58 . . . . 0.0 111.505 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' OD1' ' HB2' ' A' ' 61' ' ' SER . 24.2 t70 -66.6 -37.17 84.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.09 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.39 19.05 43.09 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.387 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.412 ' HB2' ' OD1' ' A' ' 59' ' ' ASP . 28.8 t -84.83 -15.02 46.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.987 0.422 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -130.06 -43.7 1.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 111.229 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.2 p -85.91 95.33 9.43 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.076 0.465 . . . . 0.0 110.683 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -94.6 99.58 11.69 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.8 mt -93.04 -7.24 46.28 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.279 0.561 . . . . 0.0 110.026 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.78 -178.9 26.03 Favored Glycine 0 N--CA 1.43 -1.74 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.989 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.9 m -94.35 119.78 42.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-O 121.124 0.487 . . . . 0.0 111.47 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.5 tt -90.0 114.29 27.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.136 0.493 . . . . 0.0 109.772 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.4 m -102.33 108.53 19.92 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.55 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.3 m120 . . . . . 0 C--N 1.314 -0.963 0 CA-C-O 118.646 -0.693 . . . . 0.0 109.484 178.772 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.473 0.725 0 CA-C-O 120.662 0.268 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.3 102.53 2.71 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.939 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -70.52 123.44 21.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.853 0.358 . . . . 0.0 110.754 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 30' ' ' LYS . . . -84.95 102.2 12.96 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.126 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.422 ' OH ' ' HB3' ' A' ' 7' ' ' ASP . 17.0 t80 -102.78 137.64 40.72 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.871 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 19' ' ' HIS . 35.6 p90 -147.77 125.28 11.7 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.422 ' HB3' ' OH ' ' A' ' 5' ' ' TYR . 1.6 p30 -96.01 147.36 23.78 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.263 0.554 . . . . 0.0 110.768 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 pt -103.24 145.81 11.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.568 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 131.74 62.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.46 114.46 3.79 Favored Glycine 0 N--CA 1.439 -1.151 0 C-N-CA 119.769 -1.205 . . . . 0.0 112.299 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 68.7 m -150.43 126.93 10.8 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.42 -7.21 29.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -112.15 -33.16 6.32 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 118.934 -1.106 . . . . 0.0 111.326 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 11' ' ' SER . 56.8 mmm-85 -140.1 102.12 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -99.79 128.72 45.87 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.06 143.14 14.38 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.753 -1.213 . . . . 0.0 114.721 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.8 mm -108.23 113.74 44.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -112.91 111.65 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.664 -0.415 . . . . 0.0 111.723 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.556 ' HA ' ' CB ' ' A' ' 6' ' ' TYR . 62.9 t-80 -84.54 99.11 10.52 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.478 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -80.5 119.64 23.44 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.2 -1.77 24.82 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.591 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -121.93 134.67 24.79 Favored Pre-proline 0 N--CA 1.448 -0.549 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -71.32 77.92 1.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.962 1.775 . . . . 0.0 112.41 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -72.77 -37.81 67.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.616 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.78 69.87 0.52 Allowed Glycine 0 N--CA 1.437 -1.247 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.53 133.43 50.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.555 0.693 . . . . 0.0 112.138 -173.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -84.08 140.46 31.8 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.759 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -70.15 -25.72 63.59 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.319 175.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 p -151.43 142.98 23.59 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.883 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 4' ' ' ALA . 29.7 mttm -71.17 -33.75 70.3 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.34 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.99 -33.67 75.89 Favored 'General case' 0 C--O 1.195 -1.774 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.083 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.79 97.57 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.967 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.4 -53.32 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.366 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.518 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 70.7 m-85 -63.71 -45.23 90.94 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.49 -49.61 76.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.83 90.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.0 88.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.057 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 -37.33 86.76 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.142 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.77 87.86 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.458 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.79 99.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.168 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.6 91.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.781 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 49.2 m -61.48 -47.02 87.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.84 -41.97 98.46 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.63 -51.05 71.03 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.405 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.65 -31.54 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.295 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 42' ' ' SER . 29.1 mtpp -62.41 -42.71 99.64 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.607 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -88.7 -2.9 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 111.115 -177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.41 17.66 66.02 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.51 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -67.43 133.8 50.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -61.44 130.45 46.1 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.395 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.85 114.88 44.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -101.08 124.65 47.13 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -115.59 110.35 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.916 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.9 p -120.25 97.11 5.43 Favored 'General case' 0 N--CA 1.414 -2.241 0 CA-C-O 121.771 0.796 . . . . 0.0 109.727 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.437 HG12 ' HB2' ' A' ' 19' ' ' HIS . 8.0 m -122.94 90.3 50.3 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.537 -176.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 19' ' ' HIS . 16.6 Cg_exo -68.88 142.96 53.49 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.471 2.114 . . . . 0.0 110.868 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.8 164.47 12.73 Favored Glycine 0 CA--C 1.494 -1.26 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -83.57 148.96 26.88 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.274 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -65.53 -77.49 0.06 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.672 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.9 10.53 61.6 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.366 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -96.96 -61.32 1.42 Allowed 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.815 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.0 12.35 26.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.1 p -93.62 1.3 56.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.073 0.463 . . . . 0.0 111.196 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -95.55 104.87 16.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 mp -82.92 132.58 35.15 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.83 40.9 9.13 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.237 -0.982 . . . . 0.0 111.32 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.1 p -84.31 149.27 4.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.68 0.276 . . . . 0.0 110.697 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.3 pt -83.18 132.19 31.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -129.81 -6.26 4.55 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.026 0.441 . . . . 0.0 110.437 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.9 p30 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.34 178.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.9 mtm . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.962 0.41 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.15 153.97 8.01 Favored Glycine 0 N--CA 1.437 -1.243 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -69.84 139.62 53.13 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.091 0.472 . . . . 0.0 111.32 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.31 81.88 1.48 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.886 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.17 137.04 43.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.917 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -114.2 117.75 32.05 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.518 174.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 43.5 t0 -91.07 108.15 19.68 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.09 151.5 5.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 121.398 0.618 . . . . 0.0 112.314 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.98 137.77 49.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.353 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.02 114.34 3.67 Favored Glycine 0 N--CA 1.441 -1.023 0 C-N-CA 119.618 -1.277 . . . . 0.0 113.556 -174.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.6 m -151.53 116.28 5.16 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.92 28.83 0.06 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -135.35 -35.08 0.83 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.286 0.565 . . . . 0.0 109.78 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' HG3' ' HB3' ' A' ' 50' ' ' GLU . 62.3 ttt180 -142.0 114.46 8.36 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' NE1' ' HB1' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -112.42 130.05 56.11 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.864 -174.683 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.12 135.49 10.71 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 119.901 -1.142 . . . . 0.0 114.538 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mm -104.72 110.62 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 13.2 ttt-85 -111.79 119.22 37.88 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -78.42 136.96 37.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 18.1 t70 -79.17 88.49 4.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.156 0.503 . . . . 0.0 110.482 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -90.83 -3.44 57.39 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.699 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -121.1 88.68 45.45 Favored Pre-proline 0 C--N 1.317 -0.834 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -37.09 108.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 124.569 3.513 . . . . 0.0 115.854 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.7 p -94.81 -30.12 14.39 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 171.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.32 -44.04 0.33 Allowed Glycine 0 C--N 1.35 1.308 0 CA-C-N 114.002 -1.454 . . . . 0.0 115.443 173.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -84.33 113.05 20.86 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -152.37 158.0 42.07 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -62.54 -42.6 99.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 p -167.19 157.13 10.96 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.92 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -65.38 -40.82 93.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.544 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.04 -36.23 83.71 Favored 'General case' 0 C--O 1.199 -1.582 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.639 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.81 71.34 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.63 0.252 . . . . 0.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.11 -55.39 8.3 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.312 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -64.91 -43.0 94.26 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.85 -54.48 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.912 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.78 83.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.97 83.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -66.51 -37.89 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.412 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 121.279 0.562 . . . . 0.0 110.229 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.57 ' HB1' ' NE1' ' A' ' 15' ' ' TRP . . . -64.38 -43.93 92.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.348 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.22 94.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.51 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 19.9 p -64.3 -41.55 96.8 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.652 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -61.28 -44.39 97.3 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.942 0.401 . . . . 0.0 110.182 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.04 71.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.269 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.2 tt -66.57 -34.9 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.543 -176.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 42' ' ' SER . 62.1 mtpt -61.32 -39.54 90.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.555 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -89.72 -0.39 57.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.749 0.309 . . . . 0.0 111.657 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.65 76.17 Favored Glycine 0 CA--C 1.498 -1.03 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.377 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 45.7 m170 -65.78 145.12 56.37 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -60.93 107.84 0.77 Allowed 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 177.252 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 49' ' ' HIS . 61.6 t -100.36 108.42 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 121.155 0.503 . . . . 0.0 110.377 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -110.64 119.43 39.11 Favored 'General case' 0 N--CA 1.42 -1.945 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.796 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -106.2 110.88 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.545 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 1.8 m -117.59 98.8 6.57 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -177.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 p -111.27 87.78 7.93 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.589 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.545 ' HD3' ' O ' ' A' ' 54' ' ' THR . 5.7 Cg_exo -76.91 160.16 34.01 Favored 'Trans proline' 0 C--O 1.245 0.87 0 C-N-CA 123.206 2.604 . . . . 0.0 110.761 175.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.64 57.16 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.641 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -154.82 127.04 7.78 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.215 0.531 . . . . 0.0 110.241 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -81.54 135.14 35.58 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.14 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.4 -13.44 11.03 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.284 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.0 t -70.82 99.65 1.77 Allowed 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 67.67 -67.0 0.19 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.582 0.753 . . . . 0.0 110.67 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.483 ' OG1' ' HG ' ' A' ' 65' ' ' LEU . 10.1 t -95.65 140.55 30.31 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 121.131 0.491 . . . . 0.0 110.473 178.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -109.9 22.26 15.86 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.11 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.483 ' HG ' ' OG1' ' A' ' 63' ' ' THR . 98.4 mt -62.88 139.59 58.74 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.31 114.93 6.67 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.626 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.13 122.89 42.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.101 0.476 . . . . 0.0 111.459 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.5 tp -90.6 120.61 39.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.829 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -100.79 116.31 32.38 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.707 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.255 1.349 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.236 -177.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.671 0.272 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.14 -81.83 1.59 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.44 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -71.88 142.14 49.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.38 89.01 7.69 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 85.7 t80 -113.3 134.52 54.57 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.261 0.553 . . . . 0.0 111.632 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.45 131.12 57.03 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.5 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.84 116.64 29.07 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 HD13 ' A' ' 17' ' ' ILE . 2.9 mp -106.38 133.03 52.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-O 120.927 0.394 . . . . 0.0 110.278 -176.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -103.83 129.45 55.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.56 114.56 3.52 Favored Glycine 0 N--CA 1.429 -1.797 0 C-N-CA 119.891 -1.147 . . . . 0.0 112.905 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -151.6 140.3 20.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.99 -2.51 15.57 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -108.13 -33.36 7.18 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.28 -0.968 . . . . 0.0 110.377 175.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -143.0 125.09 15.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.955 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.42 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 89.3 t90 -118.04 134.28 55.12 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -142.69 149.25 21.12 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 119.009 -1.567 . . . . 0.0 116.374 -173.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.448 HD13 HG23 ' A' ' 8' ' ' ILE . 46.7 mm -115.92 117.49 55.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 123.596 0.758 . . . . 0.0 109.212 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -116.41 120.57 39.24 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.571 0.224 . . . . 0.0 110.919 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -83.64 118.75 24.05 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 120.244 -0.583 . . . . 0.0 109.91 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.87 127.08 30.09 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.4 -2.01 37.26 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.441 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -127.71 172.91 6.04 Favored Pre-proline 0 C--N 1.313 -0.984 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.479 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.13 36.71 0.09 OUTLIER 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 123.743 2.962 . . . . 0.0 114.974 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.7 m -101.54 -12.75 18.26 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.546 0.688 . . . . 0.0 109.315 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.41 62.47 2.26 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.305 -0.862 . . . . 0.0 114.111 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -114.7 149.78 36.26 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.417 ' HB3' ' CD1' ' A' ' 5' ' ' TYR . 24.4 p90 -148.56 154.17 39.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -70.09 -41.65 73.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.926 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -148.85 142.38 25.37 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.973 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.43 -39.0 91.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.25 -36.48 84.25 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.332 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.82 87.84 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.115 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.74 -58.8 3.08 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.668 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -66.36 -47.5 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.07 -48.03 82.01 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.339 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.89 91.18 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.914 0.387 . . . . 0.0 110.691 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.94 71.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.166 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.1 p -66.3 -35.85 81.44 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 111.003 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.4 77.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.288 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.18 -36.38 83.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.557 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . . . -59.49 -41.79 90.65 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.757 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -60.39 -46.33 90.38 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.644 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.82 -45.02 91.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.473 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.45 68.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.191 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 41' ' ' ALA . 19.8 tt -68.75 -36.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.284 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -62.04 -39.89 93.87 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.957 0.408 . . . . 0.0 110.703 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -85.95 -9.76 56.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.131 -176.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.45 22.81 57.93 Favored Glycine 0 CA--C 1.501 -0.843 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.762 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -67.28 142.37 56.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.09 137.4 58.11 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 p -112.85 131.28 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.85 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.96 114.17 21.14 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.71 111.37 35.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -117.75 95.42 4.93 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-O 121.482 0.658 . . . . 0.0 109.932 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.6 m -125.32 84.87 59.15 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.942 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -74.54 143.29 30.54 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.174 1.916 . . . . 0.0 112.596 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.68 -22.29 6.75 Favored Glycine 0 CA--C 1.501 -0.803 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.74 -164.79 1.16 Allowed 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.425 -0.888 . . . . 0.0 108.789 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.58 105.28 3.06 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.97 -34.88 88.42 Favored Glycine 0 CA--C 1.496 -1.098 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.749 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 63' ' ' THR . 27.5 m -78.23 -4.98 50.5 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.625 -0.288 . . . . 0.0 110.232 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 71.65 -31.78 0.23 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.463 1.105 . . . . 0.0 111.099 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 61' ' ' SER . 26.9 m -88.05 123.81 33.11 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.274 -178.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -82.19 127.72 33.44 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.1 mt -88.44 -8.13 55.45 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.35 24.88 60.19 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.219 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.5 m -89.16 143.45 11.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.058 0.456 . . . . 0.0 111.502 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.8 tp -85.93 105.93 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.479 0.657 . . . . 0.0 109.723 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.9 m -96.16 84.14 3.74 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.586 0.708 . . . . 0.0 110.591 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.888 178.222 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.472 0.647 0 CA-C-O 120.885 0.374 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.56 166.9 26.42 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.56 130.58 43.48 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.49 105.13 17.59 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.048 0.451 . . . . 0.0 110.756 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -98.23 140.56 32.34 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 121.922 0.868 . . . . 0.0 111.587 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -124.69 117.94 25.35 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -95.5 108.38 20.61 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-O 121.227 0.537 . . . . 0.0 109.553 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 pp -90.05 145.88 6.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.952 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.26 129.05 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.37 114.17 3.73 Favored Glycine 0 CA--C 1.492 -1.353 0 C-N-CA 119.603 -1.284 . . . . 0.0 112.658 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.655 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 67.7 m -154.26 126.4 7.83 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 123.332 0.653 . . . . 0.0 109.618 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.04 -3.33 9.85 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.81 -30.13 7.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.518 0.675 . . . . 0.0 110.242 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 11' ' ' SER . 8.1 tpt180 -140.17 101.59 4.18 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.654 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.46 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -107.12 130.03 54.75 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.868 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.13 141.02 11.89 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.684 -1.246 . . . . 0.0 114.268 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.87 109.74 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 18' ' ' ARG . 13.3 ttp180 -112.29 114.65 27.52 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 111.451 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -81.13 93.29 6.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.168 0.509 . . . . 0.0 111.72 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.91 113.02 24.73 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -59.17 -51.28 70.69 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.63 -171.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t0 179.7 68.82 0.14 Allowed Pre-proline 0 C--O 1.245 0.84 0 CA-C-O 121.092 0.472 . . . . 0.0 112.025 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -95.63 -5.46 1.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.649 2.233 . . . . 0.0 111.536 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -110.35 -32.54 6.91 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.595 -174.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.47 -19.96 3.63 Favored Glycine 0 C--N 1.337 0.596 0 C-N-CA 121.468 -0.396 . . . . 0.0 113.781 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -114.61 149.58 36.39 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.593 0.235 . . . . 0.0 111.489 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -153.15 136.56 15.84 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.5 m -70.59 -40.52 73.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.17 0.51 . . . . 0.0 110.669 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t 176.55 143.33 0.08 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.129 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -67.05 -45.38 77.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.359 . . . . 0.0 110.445 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.12 -37.91 86.88 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.85 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.26 77.75 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 120.855 0.359 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.01 -57.42 5.48 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.884 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -65.96 -42.31 90.09 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.57 -52.9 63.59 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.4 93.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.587 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -50.0 75.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.018 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.4 p -66.06 -39.88 90.46 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.926 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.26 -50.97 65.84 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.127 0.489 . . . . 0.0 111.216 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.21 88.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.775 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.86 88.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.914 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.7 m -61.21 -41.95 97.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -60.76 -47.13 87.7 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.922 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.68 -51.08 70.91 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.966 -177.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.02 -40.48 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -61.97 -39.77 93.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.927 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.85 -4.41 59.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.731 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.86 11.31 70.74 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.717 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.468 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 50.9 m170 -69.5 134.16 48.56 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -64.55 133.27 52.02 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.319 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.3 p -113.6 132.36 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-O 121.128 0.489 . . . . 0.0 110.31 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.35 138.61 40.52 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 tt -126.86 110.64 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.438 0 N-CA-C 108.831 -0.804 . . . . 0.0 108.831 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -128.49 95.18 4.06 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.159 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.02 94.65 23.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.858 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -65.99 141.74 65.57 Favored 'Trans proline' 0 C--O 1.242 0.711 0 C-N-CA 122.658 2.239 . . . . 0.0 111.604 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.82 -171.1 42.6 Favored Glycine 0 N--CA 1.435 -1.376 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.191 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -74.49 -74.24 0.2 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.761 0.315 . . . . 0.0 110.604 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t70 70.33 93.81 0.08 Allowed 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.063 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.37 -131.15 2.39 Favored Glycine 0 N--CA 1.438 -1.179 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.704 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.8 m -88.67 -4.1 58.63 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -81.47 -6.7 59.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.031 0.443 . . . . 0.0 111.175 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.5 m -93.26 128.6 39.32 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.971 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -68.44 129.51 40.15 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.612 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -87.34 -18.07 30.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.324 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.41 158.68 18.2 Favored Glycine 0 C--O 1.24 0.483 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.722 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.4 146.62 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -82.31 101.32 6.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.2 p -139.54 36.19 2.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.703 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.091 -0.956 . . . . 0.0 111.053 -176.449 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtm . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.731 0.301 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.12 8.44 85.55 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.228 -0.51 . . . . 0.0 112.517 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.35 115.31 8.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.4 81.43 1.67 Allowed 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.228 0.537 . . . . 0.0 110.175 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -124.32 134.37 53.2 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.88 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.406 ' HE2' ' CE2' ' A' ' 34' ' ' PHE . 31.2 p90 -127.29 134.82 49.98 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.845 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 53.6 t0 -86.57 108.0 18.39 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -90.07 140.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.18 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.5 t -112.19 129.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.86 114.83 3.68 Favored Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.686 -1.245 . . . . 0.0 112.41 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.55 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 43.1 m -150.02 135.98 18.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -72.74 -7.07 48.77 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -109.03 -29.66 8.45 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.216 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' A' ' 11' ' ' SER . 40.2 ttt180 -139.94 115.03 9.71 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 82.3 t90 -110.66 128.52 55.73 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -137.97 140.7 11.42 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 119.505 -1.331 . . . . 0.0 115.213 -174.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 47.9 mm -103.72 110.37 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HG2' HH11 ' A' ' 18' ' ' ARG . 0.0 OUTLIER -104.03 112.48 25.48 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.459 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -78.5 123.86 27.52 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -89.79 108.34 19.64 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -92.4 -27.69 17.34 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.756 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.78 116.54 62.47 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -44.99 118.54 2.0 Favored 'Trans proline' 0 C--O 1.239 0.535 0 C-N-CA 123.879 3.053 . . . . 0.0 114.974 -172.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -99.88 -29.35 12.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.144 173.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.25 0.04 81.63 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.253 -0.885 . . . . 0.0 114.647 174.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -99.15 105.68 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 117.723 0.762 . . . . 0.0 112.698 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -153.99 129.02 9.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.081 174.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -67.57 -40.55 84.89 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -166.1 150.68 8.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.53 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -64.59 -48.33 75.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.47 -35.62 79.54 Favored 'General case' 0 C--O 1.192 -1.924 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 120.745 0.307 . . . . 0.0 110.646 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.27 -55.16 11.32 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CE2' ' HE2' ' A' ' 6' ' ' TYR . 87.8 m-85 -63.94 -45.01 91.13 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.77 -53.63 55.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.466 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.16 86.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.323 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.46 -51.42 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.507 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.44 -35.29 79.93 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.938 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.39 82.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.033 0.445 . . . . 0.0 110.16 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.27 83.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.352 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -59.98 -41.5 92.14 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.2 m -61.11 -46.85 88.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.477 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -63.31 -45.0 93.4 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.162 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -61.6 -52.29 64.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.493 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 41' ' ' ALA . 11.0 tp -70.37 -39.43 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.711 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.33 -35.72 79.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -86.08 -13.51 47.09 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.843 -177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.42 18.98 56.17 Favored Glycine 0 CA--C 1.508 -0.387 0 C-N-CA 119.95 -1.119 . . . . 0.0 111.808 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.492 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 61.6 m170 -66.27 140.14 58.12 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.79 125.02 21.75 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.427 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 p -106.29 123.83 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 22.0 mmt180 -124.39 134.87 53.0 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.108 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -134.04 115.55 21.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.9 p -122.11 99.92 6.69 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.47 0.652 . . . . 0.0 111.399 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -115.52 92.85 34.57 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.683 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -88.36 167.61 6.38 Favored 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.935 2.423 . . . . 0.0 112.156 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.58 -81.09 0.16 Allowed Glycine 0 C--O 1.22 -0.757 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.707 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -128.43 13.04 6.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.468 0.651 . . . . 0.0 111.025 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -88.36 142.43 27.73 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.031 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.75 -23.25 2.32 Favored Glycine 0 C--N 1.317 -0.472 0 C-N-CA 119.952 -1.118 . . . . 0.0 113.306 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.9 m -66.85 101.56 0.84 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.104 0.478 . . . . 0.0 111.964 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 56.09 75.76 0.32 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.675 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.7 p -91.73 113.31 25.54 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 173.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.52 103.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.512 0.672 . . . . 0.0 111.645 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.2 tp -121.39 4.2 10.24 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.61 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.43 76.14 1.11 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.4 m -83.18 140.71 15.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.133 0.492 . . . . 0.0 111.511 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.1 tt -88.14 122.41 39.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.606 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.9 t -102.96 116.28 32.23 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.799 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.858 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.938 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.651 0.262 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.54 -119.77 1.64 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.45 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -65.45 106.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.384 0.612 . . . . 0.0 111.085 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.8 115.28 5.15 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.17 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 7' ' ' ASP . 48.8 t80 -115.14 138.71 50.59 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.212 0.53 . . . . 0.0 111.82 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -118.43 115.38 24.53 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.22 175.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 18' ' ' ARG . 22.5 t70 -92.54 120.05 32.61 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.732 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 pt -107.99 151.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-O 121.447 0.641 . . . . 0.0 112.426 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -106.96 135.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 116.79 4.38 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.292 -1.432 . . . . 0.0 114.514 -172.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.822 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 31.3 t -156.48 131.61 9.19 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.72 -9.96 59.06 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -104.0 -30.38 10.31 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.357 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.822 ' O ' ' HB3' ' A' ' 11' ' ' SER . 56.1 mtp180 -140.41 111.47 7.07 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.168 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.457 ' N ' ' HD2' ' A' ' 49' ' ' HIS . 2.1 t-105 -127.24 126.31 42.5 Favored 'General case' 0 C--N 1.267 -2.983 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.8 142.16 13.49 Favored Glycine 0 N--CA 1.424 -2.158 0 CA-C-N 115.221 -0.899 . . . . 0.0 113.126 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -102.15 109.54 26.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' HA ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.41 123.01 43.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.761 0.791 . . . . 0.0 112.081 -176.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -72.65 136.31 45.64 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.823 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 19.4 t0 -76.21 104.14 6.59 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -77.4 -7.7 56.53 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.63 -173.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.28 73.16 64.65 Favored Pre-proline 0 C--N 1.308 -1.237 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 170.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -43.0 100.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 124.093 3.195 . . . . 0.0 114.693 -171.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.0 p -65.7 -38.04 88.11 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.228 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.47 3.62 86.5 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.644 -0.788 . . . . 0.0 113.125 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.1 96.24 9.81 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 119.951 -0.699 . . . . 0.0 111.064 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -152.11 135.35 15.87 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.125 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -63.93 -40.15 95.78 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 121.511 0.672 . . . . 0.0 109.956 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 m -158.07 150.62 22.4 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.073 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.74 -47.07 85.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.658 0.266 . . . . 0.0 110.931 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.6 -31.86 72.82 Favored 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.24 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.45 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 120.886 0.374 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.73 -52.17 27.8 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.269 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -66.53 -44.28 82.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.9 -50.45 73.99 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.8 0.333 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.05 87.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.129 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -50.16 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.783 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.7 p -66.52 -39.74 88.78 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.693 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.81 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.334 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.38 90.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.938 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.55 94.71 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.466 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.5 m -62.81 -45.62 91.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.409 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.23 -43.5 97.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.333 0.587 . . . . 0.0 110.655 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' HB1' ' CG ' ' A' ' 49' ' ' HIS . . . -62.62 -46.72 86.98 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.52 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.71 -31.33 51.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -62.62 -31.9 72.83 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.317 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -84.6 -7.75 59.14 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.321 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.77 21.33 56.19 Favored Glycine 0 CA--C 1.501 -0.814 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.419 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.488 ' CG ' ' HB1' ' A' ' 44' ' ' ALA . 1.1 p-80 -66.5 147.33 53.44 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.66 133.78 50.93 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.361 -0.936 . . . . 0.0 108.696 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 p -108.05 139.64 29.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.543 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 52' ' ' ARG . 1.8 tpm_? -136.94 121.77 18.72 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.745 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -110.3 109.89 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -123.23 97.28 5.35 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-O 121.518 0.675 . . . . 0.0 110.421 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.15 82.63 51.49 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.578 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -76.5 152.61 34.14 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 122.355 2.037 . . . . 0.0 110.81 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.73 160.99 53.87 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.726 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -78.51 105.68 9.95 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.85 0.19 54.61 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.716 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.15 89.46 0.25 Allowed Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 m -71.2 -7.8 49.24 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -88.15 -12.53 43.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.05 0.452 . . . . 0.0 110.225 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.7 p -94.74 1.82 55.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.431 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -88.92 -2.37 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.661 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 mp -87.6 103.59 15.7 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.482 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.22 141.54 5.78 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.688 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.7 t -99.69 -76.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.748 0.309 . . . . 0.0 110.402 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 98.2 mt -147.27 -64.51 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.794 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -94.36 -8.6 38.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.622 0.725 . . . . 0.0 109.96 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.02 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.05 -15.82 6.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.028 -1.082 . . . . 0.0 112.64 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -65.22 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.967 0.413 . . . . 0.0 110.744 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.78 144.08 32.38 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.14 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 27' ' ' TYR . 27.8 t80 -110.91 120.39 42.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.101 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -107.59 115.29 29.89 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -92.1 107.83 19.49 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.726 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.37 136.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 -177.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.89 128.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 113.75 3.33 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.863 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.595 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 51.1 m -152.94 131.75 12.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 176.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.08 10.16 0.33 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.6 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 6.4 p30 -137.68 -30.12 0.84 Allowed 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.642 173.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.6 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 47.4 mmm-85 -122.59 100.75 7.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.538 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 87.7 t90 -106.83 128.21 54.07 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 52' ' ' ARG . . . -144.31 150.42 22.49 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.522 -174.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.538 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 43.5 mm -116.13 123.2 71.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.445 ' HA ' HG23 ' A' ' 54' ' ' THR . 69.0 ttp85 -109.54 116.1 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.955 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -81.42 106.37 13.33 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -96.0 102.62 14.43 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -73.12 -25.29 60.79 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 120.847 0.356 . . . . 0.0 111.835 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 8.6 p-10 -123.51 110.79 30.09 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 175.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 22' ' ' ASP . 6.7 Cg_endo -49.5 105.53 0.1 OUTLIER 'Trans proline' 0 C--O 1.239 0.526 0 C-N-CA 123.239 2.626 . . . . 0.0 114.767 -172.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 p -84.09 -22.83 31.02 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.079 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.0 96.45 0.18 Allowed Glycine 0 N--CA 1.421 -2.358 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -59.52 113.65 2.32 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.878 0.847 . . . . 0.0 111.151 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 6.4 t80 -91.05 151.0 21.2 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.34 -176.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -62.59 -41.22 98.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -154.11 148.38 25.95 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.231 -0.588 . . . . 0.0 112.172 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.86 -39.58 83.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.984 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.69 -35.65 81.38 Favored 'General case' 0 C--O 1.196 -1.734 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.49 78.82 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.168 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.22 -51.64 43.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.336 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -68.76 -41.75 78.42 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.23 -52.61 64.83 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.832 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -58.4 -52.54 65.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.583 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -66.78 -36.27 82.02 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.424 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.51 81.45 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.34 0.59 . . . . 0.0 109.747 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.16 83.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.615 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.88 97.6 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.821 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -60.98 -45.18 95.82 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.771 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.62 -47.32 84.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.617 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.73 67.03 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.867 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.78 -44.33 96.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.325 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.93 -34.82 76.78 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.027 0.442 . . . . 0.0 111.62 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 3.7 m-85 -86.84 -4.1 59.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.2 18.83 77.88 Favored Glycine 0 CA--C 1.502 -0.72 0 C-N-CA 119.948 -1.12 . . . . 0.0 112.002 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 3.5 m-70 -64.75 139.83 58.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.45 130.89 48.82 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.558 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.2 t -100.15 126.01 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -133.15 112.95 12.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.8 mt -108.65 115.05 48.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 18' ' ' ARG . 7.8 t -112.3 97.24 6.5 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-O 122.382 1.087 . . . . 0.0 111.913 -177.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m -103.96 112.61 65.59 Favored Pre-proline 0 C--N 1.304 -1.373 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.077 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.32 136.95 63.98 Favored 'Trans proline' 0 C--O 1.243 0.74 0 C-N-CA 122.833 2.355 . . . . 0.0 114.01 -173.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -140.63 -34.64 0.12 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.148 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -81.34 176.38 9.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -150.44 108.41 3.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.184 0.516 . . . . 0.0 111.534 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -143.14 -52.29 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.584 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.5 p -175.21 -35.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.278 0.561 . . . . 0.0 109.506 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 68.72 34.33 3.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.154 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.2 m -87.77 118.94 27.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.802 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -160.0 -43.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.899 0.381 . . . . 0.0 111.411 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.19 146.78 45.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.173 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.77 158.27 40.74 Favored Glycine 0 C--N 1.321 -0.3 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.765 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.36 130.61 37.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-O 120.986 0.422 . . . . 0.0 111.014 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 68' ' ' ILE . 3.6 mp -90.69 114.1 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.4 m -133.63 -24.63 1.74 Allowed 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.525 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 C--N 1.317 -0.827 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.979 179.387 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.25 -146.35 8.89 Favored Glycine 0 N--CA 1.438 -1.171 0 C-N-CA 120.243 -0.979 . . . . 0.0 113.465 -177.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -66.09 136.36 55.88 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 122.95 0.5 . . . . 0.0 111.867 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.71 82.91 3.97 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 174.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -106.81 140.51 39.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 112.216 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -112.9 114.96 27.69 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -91.85 110.03 21.37 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.749 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 pt -100.52 145.37 11.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-O 121.496 0.665 . . . . 0.0 112.045 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.5 m -110.23 136.23 46.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.08 115.53 4.16 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 119.468 -1.349 . . . . 0.0 113.965 -173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.494 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.5 m -147.67 117.22 7.03 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -71.44 28.22 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -137.33 -34.98 0.69 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.0 ttt180 -142.6 112.91 7.18 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.09 128.88 56.02 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.323 -174.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.09 146.57 17.55 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.462 -0.875 . . . . 0.0 114.244 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.46 119.33 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -106.7 135.73 47.73 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 120.569 0.223 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 21' ' ' ASP . 56.6 t-80 -80.69 109.63 15.41 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.622 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -90.36 106.68 18.66 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.031 0.443 . . . . 0.0 110.085 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 1.3 p30 -121.09 5.34 10.35 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.189 0.518 . . . . 0.0 111.082 -177.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -109.84 167.52 8.99 Favored Pre-proline 0 N--CA 1.435 -1.207 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.156 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -71.5 39.12 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 123.178 2.585 . . . . 0.0 115.069 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.4 p -109.5 -38.3 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.37 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.91 89.26 0.84 Allowed Glycine 0 N--CA 1.438 -1.223 0 C-N-CA 120.07 -1.062 . . . . 0.0 113.511 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.31 144.55 29.62 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -152.83 141.85 21.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.249 -175.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -66.55 -40.5 89.08 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -140.68 142.88 34.86 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.902 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -67.34 -37.66 83.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.778 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.24 -35.76 81.39 Favored 'General case' 0 C--O 1.191 -1.982 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.49 71.85 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 123.108 0.255 . . . . 0.0 110.5 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.96 -50.88 53.22 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.075 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -66.77 -42.1 86.64 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 120.953 0.406 . . . . 0.0 110.591 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -55.35 -54.58 41.78 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.868 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.6 75.35 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.505 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.89 84.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.42 -37.89 86.2 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.12 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.95 79.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.606 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.365 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.27 90.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.383 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -61.46 -44.95 96.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.798 0.332 . . . . 0.0 110.186 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -62.77 -42.53 99.73 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -52.08 66.45 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.609 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.06 -42.72 96.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.095 0.474 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.97 -43.25 91.32 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.073 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -88.81 -2.84 58.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.336 -176.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 7.39 66.17 Favored Glycine 0 CA--C 1.505 -0.578 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.501 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -67.36 136.54 54.94 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 33.3 tt0 -62.4 136.95 58.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.655 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.21 134.21 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.54 117.7 22.57 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.2 mt -102.03 115.1 43.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.2 m -116.48 95.31 4.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-O 121.812 0.815 . . . . 0.0 110.721 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.94 146.36 52.07 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.747 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.89 143.77 23.62 Favored 'Trans proline' 0 C--O 1.239 0.526 0 C-N-CA 122.265 1.977 . . . . 0.0 111.882 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.26 -51.96 0.16 Allowed Glycine 0 CA--C 1.5 -0.85 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.673 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -94.27 170.27 9.63 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.724 0.297 . . . . 0.0 110.344 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -78.85 122.56 26.23 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.216 0.531 . . . . 0.0 111.595 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -120.79 36.27 3.41 Favored Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 110.791 -0.923 . . . . 0.0 110.791 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -81.45 -7.23 59.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 -177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -91.4 12.18 21.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.373 0.606 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 t -146.09 149.8 34.73 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.266 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -103.09 -0.39 30.76 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 52.66 -160.73 0.11 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.904 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.25 166.49 54.34 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.52 136.19 23.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.568 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -90.27 -7.12 10.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.684 0.754 . . . . 0.0 109.715 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.1 p -88.39 157.47 18.69 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.977 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 119.148 -0.453 . . . . 0.0 110.887 -179.791 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.826 0.346 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.1 -145.41 16.95 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.653 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -66.66 136.98 56.36 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 122.629 0.372 . . . . 0.0 111.214 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.71 101.58 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.28 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -107.51 137.96 44.59 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.201 0.524 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.442 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 12.9 p90 -134.19 127.56 32.22 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.736 175.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.645 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . 7.7 t70 -87.03 108.74 18.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.41 0.624 . . . . 0.0 110.359 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.7 pt -86.86 154.63 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.0 129.24 65.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.21 113.91 3.27 Favored Glycine 0 N--CA 1.431 -1.65 0 C-N-CA 119.589 -1.291 . . . . 0.0 112.743 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 55.3 m -153.87 144.84 22.73 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 176.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.14 -40.47 97.68 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -97.04 -28.64 14.06 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.491 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 11' ' ' SER . 39.4 mmm-85 -122.41 94.47 4.3 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 77.1 t90 -107.26 128.32 54.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.38 150.42 22.35 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.572 -1.299 . . . . 0.0 113.683 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.524 HD11 ' CZ3' ' A' ' 15' ' ' TRP . 3.9 mp -103.61 121.46 55.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.645 ' NH1' ' HB3' ' A' ' 7' ' ' ASP . 10.7 ttt-85 -115.65 111.13 20.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.106 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 8.0 t60 -77.37 127.06 31.91 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.509 ' CG ' HH12 ' A' ' 18' ' ' ARG . 4.8 t0 -84.48 119.29 24.98 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -84.7 -10.91 56.84 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.395 0.617 . . . . 0.0 110.754 -174.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -129.75 91.06 41.44 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.92 136.58 43.89 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.88 2.386 . . . . 0.0 113.013 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.9 p -76.8 -14.79 59.88 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.837 -177.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.36 -52.27 4.68 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.349 -0.842 . . . . 0.0 112.804 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -83.82 112.31 19.99 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 121.563 0.697 . . . . 0.0 112.174 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 10.8 t80 -155.91 132.78 10.51 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 172.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -172.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -162.79 145.96 11.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.11 -0.369 . . . . 0.0 111.328 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.57 -33.21 73.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.019 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.58 -37.83 88.83 Favored 'General case' 0 C--O 1.202 -1.434 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.75 84.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 120.625 0.25 . . . . 0.0 111.094 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . . . -67.63 -55.29 13.88 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.311 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.22 -43.4 86.77 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.76 -53.07 62.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 123.176 0.297 . . . . 0.0 110.98 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.8 83.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.626 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.74 76.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.6 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.6 p -66.37 -37.01 84.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.743 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.79 -49.47 76.23 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.731 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.04 82.65 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.585 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -64.16 -41.57 97.09 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.567 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 65.4 p -63.72 -38.81 92.52 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.808 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -61.91 -47.77 83.43 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.3 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.98 -51.52 68.92 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.119 -176.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.01 -42.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 120.955 0.407 . . . . 0.0 110.912 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.77 -37.46 84.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.545 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -88.16 -9.05 54.37 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.15 59.14 Favored Glycine 0 CA--C 1.501 -0.836 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.587 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.543 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 57.6 m170 -67.68 142.3 56.4 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.04 130.48 46.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.13 125.87 72.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.951 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 52' ' ' ARG . 30.4 mmt180 -125.85 141.82 51.8 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.352 179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.56 110.4 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -124.34 98.43 5.75 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.624 0.726 . . . . 0.0 110.372 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 19' ' ' HIS . 14.8 m -119.78 78.26 22.55 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.737 -178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -76.13 157.72 37.96 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.537 2.158 . . . . 0.0 112.413 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.76 116.02 2.38 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.11 29.69 9.8 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.735 0.778 . . . . 0.0 109.881 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -136.06 -54.55 0.76 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.08 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.66 9.64 74.63 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.557 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.2 m 63.72 15.35 8.92 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.425 0.29 . . . . 0.0 111.697 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 60.4 41.68 15.74 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.601 0.715 . . . . 0.0 110.158 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 t -82.45 156.22 24.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.369 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -81.69 162.43 23.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.709 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mp -96.25 8.01 45.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.723 -176.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.17 123.11 8.31 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.417 -0.896 . . . . 0.0 111.553 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 m -90.45 105.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.369 0.604 . . . . 0.0 111.598 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.0 mp -86.24 -44.34 16.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.562 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.4 m -92.2 105.25 17.51 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.786 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.451 HD22 ' N ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.419 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.6 mtm . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.79 7.88 21.88 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.939 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -67.25 101.69 0.95 Allowed 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.468 0.651 . . . . 0.0 111.581 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.75 99.82 2.47 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.728 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -101.55 131.3 47.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.247 0.546 . . . . 0.0 111.585 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.64 119.58 39.94 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 15.4 t70 -92.28 108.48 19.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.227 0.537 . . . . 0.0 109.594 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.641 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -96.15 141.5 15.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.861 -177.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.1 129.42 75.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.26 112.66 3.22 Favored Glycine 0 N--CA 1.432 -1.626 0 C-N-CA 119.62 -1.276 . . . . 0.0 111.642 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.603 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 30.8 m -132.65 143.64 49.8 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.606 ' HA ' ' NE2' ' A' ' 49' ' ' HIS . 17.9 m-20 -69.81 -15.77 63.17 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.553 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 19.8 m120 -117.08 -33.09 4.82 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.852 -1.139 . . . . 0.0 111.788 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.603 ' O ' ' HB2' ' A' ' 11' ' ' SER . 44.9 mmm-85 -137.66 95.75 3.11 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.87 44.95 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.66 145.89 15.96 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.892 -172.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.5 mt -120.75 102.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 7' ' ' ASP . 38.4 ptt85 -112.57 138.96 48.59 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.847 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -78.15 115.37 17.83 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -63.73 119.43 9.92 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -91.1 -4.74 56.0 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.511 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -141.97 86.14 10.64 Favored Pre-proline 0 C--N 1.308 -1.239 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 173.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.49 135.09 40.21 Favored 'Trans proline' 0 CA--C 1.51 -0.704 0 C-N-CA 122.758 2.305 . . . . 0.0 113.417 -171.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.3 p -65.64 -31.33 72.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.611 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.64 -27.04 22.26 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.7 -0.682 . . . . 0.0 113.089 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.91 106.99 19.41 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.281 0.562 . . . . 0.0 111.54 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -153.2 128.9 10.1 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.373 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -69.94 -41.78 74.11 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.004 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m 178.57 -177.04 0.24 Allowed 'General case' 0 C--O 1.243 0.743 0 C-N-CA 125.014 1.326 . . . . 0.0 108.733 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.62 -16.25 62.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.096 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.12 -50.57 69.95 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.594 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.49 91.33 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -58.91 3.11 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.0 -52.31 66.31 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.538 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.98 92.86 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.27 70.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -67.46 -36.14 80.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.563 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.36 -48.73 79.94 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.321 0.581 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.55 84.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.04 93.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.124 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -62.05 -42.2 98.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.069 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.41 -45.13 92.41 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.259 0.552 . . . . 0.0 110.298 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . . . -61.81 -50.67 71.4 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.751 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.65 -43.25 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.7 -38.98 89.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.763 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.489 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 10.8 t80 -83.84 -4.32 58.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.096 0.474 . . . . 0.0 111.326 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.22 23.43 56.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.782 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.606 ' NE2' ' HA ' ' A' ' 12' ' ' ASP . 1.3 m-70 -65.74 129.57 40.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.25 144.38 55.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 p -112.11 139.82 34.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-O 121.475 0.655 . . . . 0.0 111.09 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.39 113.94 18.85 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.8 tp -105.07 110.65 31.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.357 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -118.25 94.6 4.55 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-O 121.562 0.696 . . . . 0.0 111.257 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.8 90.2 46.21 Favored Pre-proline 0 C--N 1.305 -1.336 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.532 173.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.08 145.35 73.0 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.863 2.376 . . . . 0.0 112.537 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.33 -53.5 0.19 Allowed Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -89.08 163.4 15.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -85.22 78.32 9.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.927 0.394 . . . . 0.0 111.331 -176.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.4 11.21 46.43 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.668 -0.697 . . . . 0.0 113.552 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 m 63.39 73.12 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.351 0.596 . . . . 0.0 111.301 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 67.06 21.22 10.24 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.302 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.6 p -92.22 -8.39 45.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.507 0.67 . . . . 0.0 109.929 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -89.99 120.89 31.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.751 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.23 132.72 43.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.999 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.16 167.53 42.99 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.61 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 p -90.66 117.51 34.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.163 0.506 . . . . 0.0 110.237 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.79 106.63 16.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-O 121.529 0.68 . . . . 0.0 110.483 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.1 t -97.5 148.62 23.05 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.569 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.417 -179.514 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.2 ttm . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.41 31.08 57.51 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.725 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -65.66 142.46 58.03 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.355 0.262 . . . . 0.0 110.381 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.58 92.73 5.36 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.405 0.622 . . . . 0.0 110.053 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -116.17 127.59 54.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.224 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -100.23 115.86 30.88 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 33.7 t70 -93.34 107.07 18.96 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.704 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -82.02 155.09 4.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.693 -175.485 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.07 132.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.15 111.52 3.37 Favored Glycine 0 CA--C 1.491 -1.445 0 C-N-CA 118.474 -1.822 . . . . 0.0 113.231 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.712 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 60.0 m -156.92 124.98 5.55 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 113.886 -1.157 . . . . 0.0 108.187 178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.77 -40.38 79.73 Favored 'General case' 0 C--O 1.185 -2.341 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.513 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 27.9 p-10 -91.44 -16.98 26.49 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.919 -1.113 . . . . 0.0 111.499 -176.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.712 ' O ' ' HB2' ' A' ' 11' ' ' SER . 57.4 ttt180 -140.0 97.9 3.34 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.508 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 30.3 t-105 -103.03 131.2 50.18 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.582 -0.847 . . . . 0.0 112.51 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.13 132.88 9.59 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.778 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.8 mt -108.72 113.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 68.9 ttp85 -114.24 130.42 56.63 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.883 0.373 . . . . 0.0 111.291 -176.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -80.81 119.53 23.51 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -86.29 101.44 13.07 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.46 -4.98 59.01 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.188 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -124.98 84.19 59.25 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -48.66 120.06 4.87 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.703 2.269 . . . . 0.0 112.883 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.9 p -77.59 -18.18 57.1 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.509 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.36 -31.01 7.07 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.883 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -94.83 108.37 20.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.283 0.563 . . . . 0.0 111.391 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -152.21 138.92 18.8 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.646 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -64.33 -41.06 96.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.399 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.9 t 174.39 157.74 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.32 -49.71 75.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 110.642 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.13 -35.65 80.2 Favored 'General case' 0 C--O 1.195 -1.798 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.01 89.5 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.13 -51.19 48.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.282 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -65.38 -42.26 92.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.718 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -57.09 -54.08 50.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.43 84.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.442 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.84 84.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.388 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -66.74 -37.05 83.87 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.691 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.7 75.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.123 0.487 . . . . 0.0 110.488 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.87 89.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.932 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.25 96.18 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.9 t -63.1 -41.56 99.4 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.487 ' O ' ' HD1' ' A' ' 47' ' ' PHE . 8.2 t30 -60.36 -46.51 89.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' CA ' ' HB2' ' A' ' 49' ' ' HIS . . . -61.62 -51.33 68.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.01 -41.15 91.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.99 -39.84 75.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.487 ' HD1' ' O ' ' A' ' 43' ' ' ASN . 50.2 m-85 -87.54 -8.99 55.66 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.84 68.17 Favored Glycine 0 C--N 1.313 -0.705 0 C-N-CA 120.15 -1.024 . . . . 0.0 111.587 -176.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 13' ' ' ASN . 39.3 m170 -64.95 126.22 27.33 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 14' ' ' ARG . 11.5 pt-20 -61.47 130.44 46.05 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.256 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 8.4 p -124.29 130.52 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 121.505 0.669 . . . . 0.0 111.074 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 52' ' ' ARG . 6.3 mmt180 -116.67 135.38 53.83 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.278 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.3 mp -110.53 112.31 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.8 p -119.66 97.45 5.64 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-O 121.945 0.879 . . . . 0.0 111.312 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -119.82 98.18 49.58 Favored Pre-proline 0 C--N 1.308 -1.224 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.344 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.88 161.85 35.63 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.593 2.195 . . . . 0.0 112.045 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.45 -131.76 1.9 Allowed Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.891 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -74.96 -0.86 20.14 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.442 0.639 . . . . 0.0 110.821 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -93.25 3.43 55.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.737 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.3 92.22 1.28 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.276 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 p -87.8 -10.33 51.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.883 0.373 . . . . 0.0 111.49 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -89.24 -18.5 26.91 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.162 0.506 . . . . 0.0 110.536 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.5 p -87.61 169.54 12.07 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.175 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -68.85 139.92 55.2 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.037 0.446 . . . . 0.0 111.171 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.8 mt -91.35 -9.24 45.59 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.967 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.57 54.09 4.92 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.214 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.3 t -87.68 126.53 41.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.83 108.42 19.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.218 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.1 t -98.0 96.16 7.97 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.888 0.852 . . . . 0.0 109.436 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.615 -177.398 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 ttm . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.47 70.44 1.27 Allowed Glycine 0 C--O 1.238 0.373 0 C-N-CA 120.438 -0.886 . . . . 0.0 112.532 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -66.35 124.24 22.17 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.32 95.05 2.48 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.587 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -101.69 131.74 47.78 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.106 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -104.22 116.41 32.13 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.065 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.7 109.32 20.31 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 121.237 0.541 . . . . 0.0 110.067 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -96.71 141.94 14.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.279 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.37 128.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 114.65 3.55 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 119.876 -1.154 . . . . 0.0 113.809 -175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 50.1 m -150.59 138.24 19.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -69.96 -7.8 43.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.435 HD22 ' C ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -109.25 -31.82 7.43 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.217 176.732 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 11' ' ' SER . 47.0 mmm-85 -132.38 116.72 17.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.058 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.605 ' CH2' ' HB2' ' A' ' 41' ' ' ALA . 36.6 t90 -124.68 127.89 47.99 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.42 150.23 22.45 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 119.562 -1.304 . . . . 0.0 113.767 -175.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.524 HD11 ' CH2' ' A' ' 15' ' ' TRP . 41.4 mm -105.71 115.24 47.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 122.996 0.518 . . . . 0.0 109.839 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -106.64 116.01 31.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.029 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -74.84 108.88 7.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -82.5 98.74 9.09 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.642 -178.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.99 -7.44 59.67 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.047 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -127.66 87.39 56.09 Favored Pre-proline 0 C--N 1.309 -1.154 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.52 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -36.52 105.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 124.307 3.338 . . . . 0.0 115.159 -173.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.3 p -101.63 -30.93 11.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.484 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.19 105.44 0.63 Allowed Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.339 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.43 107.94 13.65 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.942 0.877 . . . . 0.0 110.091 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.625 ' HD1' ' H ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -91.01 147.95 22.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.608 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -66.82 -41.17 87.92 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -137.78 140.99 40.9 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.597 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 54.5 tttp -69.32 -38.84 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.092 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.41 -34.31 77.88 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.6 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.25 90.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 120.73 0.3 . . . . 0.0 111.035 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -52.57 31.19 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.037 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -63.97 -44.16 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.63 -49.02 79.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.023 0.439 . . . . 0.0 110.75 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.74 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.716 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.4 70.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.129 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.93 -36.22 82.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.07 0.462 . . . . 0.0 110.253 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.46 77.23 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.335 0.588 . . . . 0.0 110.44 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.88 85.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.474 176.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -61.41 -38.1 85.9 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.216 177.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.2 m -60.6 -45.24 94.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -43.89 97.56 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.195 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.71 -50.75 71.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.995 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.7 mm -62.49 -43.61 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.097 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -60.59 -32.81 71.9 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.515 0.674 . . . . 0.0 110.47 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.433 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-85 -86.14 -9.24 57.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.13 17.7 77.79 Favored Glycine 0 CA--C 1.5 -0.868 0 C-N-CA 120.222 -0.989 . . . . 0.0 111.259 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 5.6 m-70 -66.05 140.17 58.24 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.58 122.39 14.56 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 123.473 0.483 . . . . 0.0 110.281 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 75.0 t -115.69 129.47 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -126.86 126.74 43.83 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -107.32 115.79 49.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.4 m -108.89 98.07 7.61 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 120.932 0.396 . . . . 0.0 111.086 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.6 p -143.12 93.55 6.52 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.456 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.23 136.73 4.95 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 122.401 2.067 . . . . 0.0 111.492 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.32 125.78 2.22 Favored Glycine 0 N--CA 1.428 -1.886 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -90.46 142.89 27.28 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.0 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 67.66 39.6 2.71 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.926 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.78 -12.44 71.82 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.782 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.4 m 65.89 14.81 9.78 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.213 0.53 . . . . 0.0 111.513 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -87.14 -6.89 58.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.459 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.8 p -91.54 126.63 36.69 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.596 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -96.2 -20.02 18.9 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.536 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.8 mt 60.98 -168.56 0.17 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.185 0.517 . . . . 0.0 111.868 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.84 173.41 33.46 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.929 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.0 m -89.09 136.53 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.829 0.347 . . . . 0.0 111.672 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.5 mm -87.14 110.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 p -107.29 -8.42 16.38 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.074 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.193 179.817 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 tpp . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 120.534 0.207 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.43 127.54 8.41 Favored Glycine 0 N--CA 1.436 -1.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.614 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -68.59 141.13 55.53 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 120.657 0.265 . . . . 0.0 111.157 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.94 82.43 1.87 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.299 0.571 . . . . 0.0 109.859 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -112.43 139.52 47.92 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.455 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -137.45 123.78 20.65 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.431 0.634 . . . . 0.0 110.122 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.521 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 8.6 t0 -88.8 112.91 23.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.564 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.752 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -94.36 155.17 3.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-O 121.542 0.687 . . . . 0.0 112.578 -175.09 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.0 129.94 59.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.396 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.78 113.95 3.47 Favored Glycine 0 N--CA 1.433 -1.544 0 C-N-CA 119.788 -1.196 . . . . 0.0 112.985 -176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.627 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 49.2 m -151.26 136.77 17.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.588 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 4.0 m-20 -70.33 -11.95 61.25 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -176.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -103.91 -32.06 9.46 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.822 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 11' ' ' SER . 35.2 ttt180 -141.9 122.1 13.87 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 34.6 t90 -115.04 127.36 55.59 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.35 137.3 12.49 Favored Glycine 0 CA--C 1.503 -0.68 0 C-N-CA 120.606 -0.807 . . . . 0.0 114.114 -172.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mt -109.06 108.18 24.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -115.26 112.89 23.13 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 111.297 -177.206 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.433 ' HB3' ' HD2' ' A' ' 56' ' ' PRO . 27.6 t60 -75.65 132.96 40.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.511 ' CG ' HH12 ' A' ' 18' ' ' ARG . 17.1 t0 -83.38 94.96 8.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.08 0.467 . . . . 0.0 110.49 -176.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.565 ' OD1' ' HA ' ' A' ' 58' ' ' ASN . 17.7 t70 -71.94 -40.38 68.75 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.312 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -111.19 98.64 40.3 Favored Pre-proline 0 C--N 1.313 -1.022 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -39.53 120.56 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 124.274 3.316 . . . . 0.0 114.696 -172.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 p -78.49 -18.24 55.11 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.122 174.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.1 -44.53 3.22 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.954 -1.021 . . . . 0.0 113.727 174.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.19 122.43 28.38 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -152.35 129.47 11.14 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.305 -0.862 . . . . 0.0 108.908 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m -65.69 -41.92 91.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.683 0.278 . . . . 0.0 111.526 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -173.74 154.47 2.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.175 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' O ' ' HD1' ' A' ' 34' ' ' PHE . 62.6 tttp -63.46 -49.03 75.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.09 -35.59 80.13 Favored 'General case' 0 C--O 1.192 -1.962 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.355 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.72 97.84 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -49.72 57.23 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.256 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.465 ' HD1' ' O ' ' A' ' 30' ' ' LYS . 72.5 m-85 -64.59 -46.58 82.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.345 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.54 -54.91 41.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.673 0.273 . . . . 0.0 111.339 -177.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.28 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.43 81.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.8 p -66.07 -35.55 80.83 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.724 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.09 77.77 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.324 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.2 86.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.622 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.86 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.006 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m -61.25 -45.64 93.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -62.95 -40.58 98.11 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.38 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -58.75 -52.13 67.0 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.917 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -69.63 -37.55 74.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.027 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -61.19 -45.09 96.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.566 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.681 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 46.6 t80 -86.61 -2.06 58.18 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.831 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.06 30.08 48.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.767 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.681 ' CD2' ' HB3' ' A' ' 47' ' ' PHE . 22.3 m170 -66.08 133.85 51.6 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' HB3' ' HG3' ' A' ' 14' ' ' ARG . 39.1 tt0 -63.55 117.59 6.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.424 -0.91 . . . . 0.0 108.64 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 15' ' ' TRP . 57.6 t -97.68 120.76 47.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 pt -105.01 115.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 CA-C-O 121.44 0.638 . . . . 0.0 110.726 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.0 m -123.01 94.65 4.33 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-O 121.669 0.747 . . . . 0.0 109.118 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.78 90.38 50.68 Favored Pre-proline 0 C--N 1.31 -1.116 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.434 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.462 ' HG2' ' HB2' ' A' ' 21' ' ' ASP . 95.1 Cg_endo -80.57 148.15 18.02 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 122.155 1.903 . . . . 0.0 111.076 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.83 158.49 29.52 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.285 -0.96 . . . . 0.0 111.089 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.565 ' HA ' ' OD1' ' A' ' 21' ' ' ASP . 12.3 m120 -67.91 108.23 2.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.998 0.428 . . . . 0.0 110.352 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -84.88 152.84 23.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.825 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.66 -22.04 65.64 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.346 -0.454 . . . . 0.0 112.348 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.4 m 61.11 22.09 12.42 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.014 0.526 . . . . 0.0 111.846 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 67.69 3.06 3.26 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.473 0.709 . . . . 0.0 111.924 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.8 p -88.92 162.17 16.25 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.756 0.312 . . . . 0.0 111.188 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -85.4 109.85 18.73 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.2 mt -98.63 11.6 37.95 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.276 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.8 139.99 48.03 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.328 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.8 m -86.81 94.33 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.446 0.641 . . . . 0.0 112.421 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.75 -36.62 8.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 m -92.85 129.76 38.67 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.617 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.313 -0.989 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.513 -178.643 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.2 mtm . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.64 101.93 2.18 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.604 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -66.1 148.55 51.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.719 0.295 . . . . 0.0 111.273 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.76 106.18 4.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -106.37 131.0 54.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.428 ' OH ' ' HA ' ' A' ' 34' ' ' PHE . 34.0 p90 -115.74 129.82 56.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 175.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.9 108.28 19.61 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.315 0.579 . . . . 0.0 110.49 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -84.76 153.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.491 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -115.27 129.54 71.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.08 114.7 3.62 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 119.607 -1.283 . . . . 0.0 114.206 -174.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.584 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 58.1 m -155.28 143.61 20.28 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -68.76 -23.13 64.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -103.13 -29.5 11.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.992 0.425 . . . . 0.0 111.433 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 11' ' ' SER . 49.1 mmm-85 -135.63 100.01 4.36 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 5.4 t90 -107.1 126.05 51.86 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.72 137.45 12.46 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.368 -173.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.7 mt -109.03 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -108.45 127.41 53.89 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.801 -177.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.459 ' HB2' HG12 ' A' ' 55' ' ' VAL . 48.4 t-80 -81.97 120.28 25.03 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.663 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -80.58 109.05 14.73 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -63.54 -34.35 77.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.191 -173.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -134.21 122.75 16.29 Favored Pre-proline 0 C--N 1.311 -1.094 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.29 108.07 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.408 2.739 . . . . 0.0 114.51 -172.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 t -106.83 -27.4 10.76 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.5 99.57 1.77 Allowed Glycine 0 N--CA 1.431 -1.673 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.35 147.38 53.02 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.72 133.25 26.83 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.367 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -66.37 -39.41 89.09 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.677 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -153.72 149.0 27.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.783 0.325 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -63.88 -30.5 71.58 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.5 -38.97 89.27 Favored 'General case' 0 C--O 1.197 -1.697 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.135 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.88 85.7 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.625 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.53 -57.86 3.83 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.314 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' HA ' ' OH ' ' A' ' 6' ' ' TYR . 68.2 m-85 -62.06 -45.73 92.26 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.521 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.11 -53.73 55.07 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.987 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.019 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.74 80.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.802 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.3 p -66.11 -35.29 80.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.06 83.55 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.156 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.417 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.2 93.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.8 m -61.9 -46.01 91.22 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.916 0.389 . . . . 0.0 110.289 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -63.43 -43.37 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.07 -49.98 73.79 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.87 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 tt -66.65 -31.28 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.232 0.539 . . . . 0.0 110.263 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.94 -36.86 82.64 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.314 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -86.15 -6.9 58.91 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.217 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.87 39.5 11.75 Favored Glycine 0 CA--C 1.503 -0.695 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.262 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.515 ' CD2' ' HB3' ' A' ' 15' ' ' TRP . 12.5 p-80 -67.94 141.18 56.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.614 0.245 . . . . 0.0 110.567 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.57 127.75 33.57 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 169.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.1 p -94.44 133.28 35.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.397 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.01 118.32 24.23 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.5 mp -106.6 114.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -117.57 94.88 4.71 Favored 'General case' 0 N--CA 1.425 -1.702 0 CA-C-O 121.62 0.724 . . . . 0.0 110.273 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 19' ' ' HIS . 10.6 m -124.14 83.09 56.38 Favored Pre-proline 0 C--N 1.312 -1.065 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.868 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.91 145.28 44.99 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.173 1.915 . . . . 0.0 112.345 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.7 -149.84 9.22 Favored Glycine 0 N--CA 1.437 -1.271 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.43 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -88.52 92.6 9.25 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.317 0.579 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -94.16 -8.17 40.21 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.702 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.47 -52.86 0.19 Allowed Glycine 0 N--CA 1.44 -1.035 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -178.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 m -73.77 117.01 15.04 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.06 125.4 25.88 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.37 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.3 p -85.05 164.2 18.38 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.869 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -80.41 87.11 5.66 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.523 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.4 mt 57.39 -86.87 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.533 -1.212 . . . . 0.0 113.21 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.75 -61.49 4.68 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.063 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.87 132.02 38.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 120.838 0.352 . . . . 0.0 110.134 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.3 mt -90.62 114.98 29.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.1 t -94.35 97.78 10.45 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.688 0.756 . . . . 0.0 111.032 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 . . . . . 0 C--N 1.313 -0.982 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.874 179.231 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.58 95.8 1.61 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.216 -0.993 . . . . 0.0 111.986 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.86 144.78 54.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.645 0.26 . . . . 0.0 110.693 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.07 100.31 13.16 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -101.59 120.98 41.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.532 0.682 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -108.01 116.46 32.0 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -92.1 108.04 19.65 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -99.57 142.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.052 -176.148 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.1 m -113.08 135.22 53.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.006 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.26 115.9 3.79 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 119.798 -1.191 . . . . 0.0 114.183 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.62 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 30.3 t -148.58 137.24 21.42 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.98 -2.96 17.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.623 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.0 -31.88 3.57 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.329 177.07 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.62 ' O ' ' HB3' ' A' ' 11' ' ' SER . 27.1 mmm-85 -128.66 95.39 4.1 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.54 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -103.65 129.37 50.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.47 148.51 20.2 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 119.739 -1.22 . . . . 0.0 114.14 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mp -107.56 118.24 54.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -115.54 113.25 23.38 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.859 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -82.09 104.95 12.8 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.85 137.39 47.48 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -97.0 -1.48 45.44 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -173.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -140.41 148.21 52.81 Favored Pre-proline 0 C--N 1.321 -0.65 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.742 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.52 120.25 8.03 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.396 2.064 . . . . 0.0 112.003 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -78.73 -15.94 57.84 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.432 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.26 -60.64 4.68 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.39 132.17 35.22 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.433 -0.384 . . . . 0.0 110.65 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -156.02 133.36 10.81 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' SER . 15.8 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.256 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' SER . 22.7 t 172.07 146.49 0.04 OUTLIER 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.29 -45.3 88.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 110.505 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -65.68 -36.15 82.81 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.78 87.76 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 120.829 0.347 . . . . 0.0 110.629 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.67 -51.63 39.79 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.327 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -67.08 -41.26 86.63 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.2 -54.65 44.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.009 0.433 . . . . 0.0 110.509 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.58 93.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.206 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.434 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -59.21 -50.54 73.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.129 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.61 -37.33 82.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.855 0.359 . . . . 0.0 111.212 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.0 77.7 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.353 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.76 88.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.84 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.58 94.36 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.642 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 m -61.03 -49.51 77.11 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.802 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -64.73 -42.55 95.13 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.581 ' HA ' ' ND1' ' A' ' 49' ' ' HIS . . . -60.51 -51.84 67.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 111.34 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mm -65.2 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.362 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -58.64 -39.54 80.84 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.241 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -86.6 -17.59 33.54 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.636 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.91 23.34 30.47 Favored Glycine 0 C--N 1.316 -0.568 0 C-N-CA 119.862 -1.161 . . . . 0.0 111.184 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.581 ' ND1' ' HA ' ' A' ' 44' ' ' ALA . 63.7 m170 -65.65 137.63 57.46 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.69 138.95 57.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.064 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.96 134.88 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.289 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -118.91 134.41 55.19 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.057 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -125.51 117.47 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.519 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -130.74 95.01 3.74 Favored 'General case' 0 N--CA 1.417 -2.103 0 CA-C-O 121.887 0.851 . . . . 0.0 110.941 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t -134.22 93.25 19.83 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.385 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.98 170.11 15.6 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 123.389 2.726 . . . . 0.0 111.991 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.63 142.91 19.68 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -68.99 122.44 18.68 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.346 0.593 . . . . 0.0 111.025 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -100.13 -26.06 14.07 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.886 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 62' ' ' GLU . . . -100.64 106.61 3.14 Favored Glycine 0 N--CA 1.433 -1.504 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.825 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 t -77.06 24.77 0.16 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.178 0.513 . . . . 0.0 110.658 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 60' ' ' GLY . 48.7 mt-10 -93.06 -21.09 19.93 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.217 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.9 m -86.52 -45.6 10.94 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.367 0.603 . . . . 0.0 109.494 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -102.88 104.71 14.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.392 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.554 ' H ' HD23 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -90.94 -12.93 34.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.346 -178.074 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.82 105.24 0.19 Allowed Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.035 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.2 p -150.97 119.15 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-O 120.84 0.352 . . . . 0.0 110.671 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 98.6 mt -86.71 114.59 26.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 t -94.81 119.4 33.33 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-O 121.627 0.727 . . . . 0.0 110.74 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.306 -1.312 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.065 -178.664 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 tpp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.657 0.265 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.06 -47.47 3.14 Favored Glycine 0 C--O 1.24 0.469 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.765 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -66.99 104.45 1.39 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.201 0.524 . . . . 0.0 111.587 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.76 100.83 2.57 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -102.8 133.44 47.85 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.702 . . . . 0.0 112.444 -174.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -122.32 116.8 24.69 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.19 175.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -92.55 107.03 18.91 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -92.63 145.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.045 -174.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 m -111.45 130.95 64.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 173.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.57 112.63 3.04 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 119.657 -1.259 . . . . 0.0 113.171 -175.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -153.54 142.73 21.42 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 176.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.696 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 7.6 p-10 -71.57 -7.96 50.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.943 0.401 . . . . 0.0 111.778 -178.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.5 ' OD1' ' HG2' ' A' ' 14' ' ' ARG . 3.7 p30 -112.89 -30.59 6.99 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.724 178.178 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' HG2' ' OD1' ' A' ' 13' ' ' ASN . 55.7 mmm-85 -129.4 111.4 12.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.444 ' CZ2' HD11 ' A' ' 17' ' ' ILE . 68.7 t90 -116.84 132.98 56.56 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.591 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.67 132.25 4.67 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 119.428 -1.367 . . . . 0.0 115.992 -173.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.444 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 50.5 mm -104.65 105.85 19.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.102 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -115.94 116.82 28.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.653 0.263 . . . . 0.0 110.946 -176.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -82.48 92.75 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.065 0.46 . . . . 0.0 112.027 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.486 ' HB3' ' CD ' ' A' ' 23' ' ' PRO . 1.8 m-20 -87.46 121.76 30.31 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.831 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.18 -53.05 55.4 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.678 -175.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.621 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 3.0 p30 -176.64 48.08 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.582 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.137 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.621 ' HD3' ' N ' ' A' ' 22' ' ' ASP . 1.9 Cg_endo -79.19 -6.98 15.09 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.063 1.842 . . . . 0.0 109.989 177.402 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.411 ' C ' ' H ' ' A' ' 26' ' ' ASP . 73.0 p -98.37 -17.23 18.96 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.799 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.18 -28.41 1.69 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.559 -1.2 . . . . 0.0 112.458 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 24' ' ' THR . 2.7 p-10 -142.39 169.91 16.69 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-O 120.895 0.378 . . . . 0.0 111.157 -175.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -150.16 148.25 28.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.275 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -66.58 -42.4 87.04 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p 176.4 150.7 0.14 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.547 0.339 . . . . 0.0 110.487 178.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.724 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.71 -37.27 84.36 Favored 'General case' 0 C--O 1.198 -1.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.68 -35.1 78.57 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.43 -53.2 25.18 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.298 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -68.03 -43.7 78.15 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.83 -53.98 52.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.887 0.375 . . . . 0.0 110.734 -178.364 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.093 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.75 76.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.3 m -66.85 -36.89 83.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.028 0.442 . . . . 0.0 110.626 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.42 80.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.51 78.02 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.166 177.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.96 -38.66 89.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.764 178.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -61.86 -46.2 90.5 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.502 0.668 . . . . 0.0 109.367 178.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.21 -39.04 93.16 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.187 177.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.76 ' HA ' ' CG ' ' A' ' 49' ' ' HIS . . . -58.37 -52.11 66.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.628 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mm -67.27 -40.78 85.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 121.253 0.549 . . . . 0.0 109.788 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 ttmt -57.52 -44.97 85.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.083 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.668 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 44.3 t80 -92.68 -6.1 49.97 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -175.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.9 32.59 23.48 Favored Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 119.808 -1.187 . . . . 0.0 111.987 -178.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.76 ' CG ' ' HA ' ' A' ' 44' ' ' ALA . 23.5 m170 -66.51 140.99 58.03 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.518 179.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.74 123.28 18.01 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.197 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.63 125.5 48.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.218 0.533 . . . . 0.0 111.766 -175.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -130.89 130.86 44.07 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.272 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mp -125.82 116.9 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -126.11 97.04 4.93 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.757 0.789 . . . . 0.0 111.886 -178.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 16.8 m -119.22 124.76 27.99 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.199 177.531 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 55' ' ' VAL . 19.2 Cg_exo -66.36 145.41 77.43 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.702 2.268 . . . . 0.0 112.444 178.272 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -135.26 30.67 2.78 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.053 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -101.35 -11.62 19.27 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -178.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -91.38 121.92 33.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.472 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 138.12 -3.73 3.1 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -176.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.1 m -79.01 -5.22 53.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.994 0.426 . . . . 0.0 110.375 178.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -136.17 97.2 3.54 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-O 121.371 0.605 . . . . 0.0 110.398 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.7 m -79.02 92.43 4.98 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.45 178.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -115.69 3.64 13.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.576 177.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.93 149.02 48.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.812 -177.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.47 147.82 49.11 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.25 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 69' ' ' THR . 4.0 t -88.66 125.25 41.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.9 tt -89.09 -8.3 10.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.382 0.611 . . . . 0.0 110.654 -179.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.433 ' H ' HG12 ' A' ' 67' ' ' VAL . 13.8 t -101.56 132.0 47.45 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.96 178.773 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.332 -179.599 . . . . . . . . 0 0 . 1 stop_ save_