data_2kfy_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 2kfy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.8 m-30 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 121.328 0.585 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.9 150.5 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 -177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.82 157.83 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 CA-C-O 121.301 0.572 . . . . 0.0 111.4 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.34 161.15 16.5 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.059 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.404 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -140.96 147.3 38.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' H ' HD13 ' A' ' 15' ' ' LEU . 35.6 ttm180 -154.13 147.24 24.65 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.62 -163.16 21.43 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.781 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.6 mt 66.62 174.29 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 124.807 1.243 . . . . 0.0 110.545 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -51.61 177.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.902 3.068 . . . . 0.0 112.873 173.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -54.2 -18.17 3.58 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.009 -0.432 . . . . 0.0 112.068 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -147.62 160.15 42.98 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.592 0.757 . . . . 0.0 110.186 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 p -155.47 -174.27 4.9 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.086 0.954 . . . . 0.0 109.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.19 164.28 28.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.035 0.445 . . . . 0.0 110.786 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -17.08 21.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 116.368 -0.378 . . . . 0.0 112.007 -175.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.78 -25.66 35.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 117.806 0.276 . . . . 0.0 111.276 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.43 -39.21 32.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.04 -39.37 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.876 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -71.14 -26.06 62.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.951 0.796 . . . . 0.0 111.135 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -26.28 63.91 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.59 0.177 . . . . 0.0 110.911 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -83.64 -27.86 28.82 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.67 52.2 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 8.83 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.828 1.651 . . . . 0.0 114.816 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -124.79 5.08 8.11 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.1 0.56 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.6 m -126.08 -177.0 3.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.452 0.701 . . . . 0.0 111.397 -170.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.7 m -130.96 142.4 50.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -99.07 43.15 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.15 0.58 . . . . 0.0 109.684 -173.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 t60 63.1 -42.58 0.2 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.184 1.793 . . . . 0.0 113.978 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -148.58 -2.33 0.5 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.724 1.21 . . . . 0.0 110.843 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 98.29 -127.06 9.11 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 5.93 0.16 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.809 0.844 . . . . 0.0 112.201 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -119.07 16.74 13.3 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.402 1.081 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.55 3.08 2.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.61 160.08 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 117.493 0.646 . . . . 0.0 109.669 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -151.7 159.26 44.05 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.597 0.759 . . . . 0.0 109.575 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -149.23 169.95 19.59 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.603 0.761 . . . . 0.0 109.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--O 1.231 0.105 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -139.2 165.98 25.74 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.1 t -143.7 110.74 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -72.14 151.89 42.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -131.42 -176.76 4.13 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.4 -33.09 6.06 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.193 -0.782 . . . . 0.0 113.904 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.5 m -151.83 171.26 18.02 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.329 1.064 . . . . 0.0 111.827 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 38.9 tt0 -60.06 -28.9 68.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.295 0.638 . . . . 0.0 110.79 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.78 -28.63 65.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.838 -0.539 . . . . 0.0 110.503 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.85 -37.09 56.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.258 -0.277 . . . . 0.0 110.618 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -39.44 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.46 -46.13 91.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.261 0.482 . . . . 0.0 110.389 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.1 mtm -68.22 -25.84 65.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.29 64.77 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.338 0.517 . . . . 0.0 110.942 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 mt -79.25 -16.34 56.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 111.914 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.96 -6.85 24.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.09 28.32 3.47 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-O 121.302 0.572 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -44.82 -14.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.2 mtp-105 -148.02 21.96 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.111 1.323 . . . . 0.0 112.402 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -71.1 -166.29 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.642 0.656 . . . . 0.0 112.528 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -146.04 153.45 40.75 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.627 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.2 mtt -77.33 -24.31 50.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.6 -16.91 3.76 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.663 -0.521 . . . . 0.0 112.878 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -139.22 -5.72 1.43 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.816 0.808 . . . . 0.0 111.471 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -155.51 163.5 39.93 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.275 0.1 OUTLIER -114.57 163.83 14.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.653 0.661 . . . . 0.0 112.705 -174.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.8 mp -136.16 166.36 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -169.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -142.91 147.56 35.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.636 0.774 . . . . 0.0 110.008 -176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.27 153.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -156.98 155.96 32.17 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -75.05 153.05 38.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.81 0.338 . . . . 0.0 110.583 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -142.69 -175.69 4.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.11 0.481 . . . . 0.0 111.178 -177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -146.87 9.6 1.01 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.521 0.728 . . . . 0.0 111.53 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 74.9 -25.43 0.2 Allowed 'General case' 0 C--N 1.339 0.144 0 C-N-CA 125.476 1.51 . . . . 0.0 113.873 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.2 m -68.79 -38.96 80.35 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 118.756 0.707 . . . . 0.0 109.743 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.85 -37.5 79.16 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -58.28 -46.69 85.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -69.0 -30.02 68.34 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.456 0.302 . . . . 0.0 111.676 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -68.88 -19.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 112.801 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.0 -20.81 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 118.427 0.558 . . . . 0.0 111.62 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.82 -6.49 27.22 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.637 0.653 . . . . 0.0 111.426 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.0 mttp . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 123.514 0.726 . . . . 0.0 112.029 -177.009 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.565 0.698 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.64 151.41 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -139.68 159.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.123 0.487 . . . . 0.0 110.822 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -89.66 161.4 16.13 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.86 131.21 35.02 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -138.9 163.19 32.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -173.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.85 -141.29 15.51 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 20' ' ' TRP . 12.5 mt 71.13 160.96 0.16 Allowed Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 124.134 0.973 . . . . 0.0 109.847 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.54 30.66 0.24 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.987 3.125 . . . . 0.0 110.945 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.484 ' H ' ' C ' ' A' ' 18' ' ' LEU . 6.3 m0 52.43 27.83 5.3 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.067 0.947 . . . . 0.0 111.848 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.5 t -148.83 128.97 13.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.4 t -165.12 174.01 10.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.543 0.337 . . . . 0.0 110.519 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.65 162.49 33.0 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.17 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -15.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -83.88 -26.19 29.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.835 0.289 . . . . 0.0 111.614 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.06 -34.35 32.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.7 -41.56 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.614 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -67.9 -25.92 65.73 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.786 0.721 . . . . 0.0 110.594 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -29.19 65.89 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.581 0.352 . . . . 0.0 111.478 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -82.87 -26.06 31.94 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -103.4 45.39 0.96 Allowed 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -59.71 -21.06 60.12 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.22 -20.49 32.21 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 119.029 0.831 . . . . 0.0 110.761 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.3 m -85.79 -177.3 6.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.211 1.004 . . . . 0.0 111.084 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 m -138.59 111.6 7.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.487 ' H ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp -69.36 140.45 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -46.56 -34.7 5.12 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.386 1.075 . . . . 0.0 113.611 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -152.28 9.61 0.49 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.244 0.617 . . . . 0.0 111.094 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.4 -119.98 5.69 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.0 2.48 0.52 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.066 0.946 . . . . 0.0 112.628 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.19 16.24 8.41 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.719 0.808 . . . . 0.0 110.862 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.98 -0.97 4.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.2 159.36 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -152.74 160.06 43.13 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.024 0.53 . . . . 0.0 110.091 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -148.28 172.43 14.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.136 0.974 . . . . 0.0 109.073 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.402 HD13 ' CE2' ' A' ' 58' ' ' PHE . 42.5 mt . . . . . 0 CA--C 1.527 0.066 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.432 ' CD2' ' HG3' ' A' ' 93' ' ' MET . 87.7 m-85 -140.9 168.12 20.55 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.421 0.689 . . . . 0.0 110.517 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.2 t -146.37 118.04 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.148 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -78.34 149.34 33.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -125.85 -172.98 2.73 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.258 0.481 . . . . 0.0 111.912 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.19 -26.11 8.51 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 119.132 -0.815 . . . . 0.0 113.935 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 t -159.85 174.09 14.97 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 118.695 1.248 . . . . 0.0 111.869 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 33.7 tt0 -59.72 -30.69 68.99 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.669 0.787 . . . . 0.0 110.547 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.81 -29.1 67.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.954 -0.466 . . . . 0.0 110.443 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -77.19 -37.01 54.45 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.506 -0.283 . . . . 0.0 110.636 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.401 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -69.34 -38.77 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.289 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.34 -47.0 87.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 118.269 0.486 . . . . 0.0 110.289 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.6 mtm -66.56 -28.9 68.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.39 -29.57 65.09 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.317 0.508 . . . . 0.0 110.975 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.6 mt -80.72 -14.35 58.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.181 0.592 . . . . 0.0 111.669 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.79 -8.45 43.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 28.21 3.65 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-O 121.272 0.558 . . . . 0.0 110.356 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -47.14 -10.47 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -155.35 28.02 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.88 1.218 . . . . 0.0 112.722 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.77 -160.53 0.09 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.652 0.739 . . . . 0.0 111.584 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -144.06 148.94 35.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 110.256 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.46 -12.9 61.63 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.87 -13.84 4.42 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -154.47 4.28 0.25 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.56 0.68 . . . . 0.0 112.753 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -150.2 140.49 22.25 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.053 0.842 . . . . 0.0 111.94 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.13 116.76 10.87 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.076 1.751 . . . . 0.0 110.221 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.4 mm -113.02 159.94 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -146.4 157.07 43.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.199 0.523 . . . . 0.0 111.611 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.83 148.26 19.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -148.63 152.77 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -70.85 149.17 47.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 122.036 -0.415 . . . . 0.0 111.09 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -144.25 178.78 7.66 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.387 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -148.06 13.12 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.232 0.613 . . . . 0.0 111.567 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 73.98 -25.83 0.19 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.558 1.543 . . . . 0.0 114.117 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -70.32 -38.92 75.03 Favored 'General case' 0 C--N 1.335 -0.039 0 CA-C-N 118.936 0.789 . . . . 0.0 109.622 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.9 -37.56 81.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.432 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.6 ttp -57.14 -47.63 80.66 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.01 -28.3 68.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.729 0.412 . . . . 0.0 111.769 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -73.4 -20.35 60.76 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.76 -17.81 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 118.229 0.468 . . . . 0.0 111.984 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -9.28 19.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.712 0.687 . . . . 0.0 111.469 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 C--N 1.34 0.157 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 177.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 9.9 m-85 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.966 0.412 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -133.59 153.33 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.18 157.88 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.356 0.598 . . . . 0.0 111.03 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.83 162.5 15.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.906 0.882 . . . . 0.0 108.662 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.25 138.08 33.0 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -145.96 164.09 33.12 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.25 -134.58 12.2 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.41 159.07 0.16 Allowed Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 124.162 0.985 . . . . 0.0 110.773 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.21 -179.17 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 124.059 3.173 . . . . 0.0 112.21 171.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -8.94 2.21 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.154 -0.341 . . . . 0.0 111.664 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -152.72 159.16 43.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.474 0.71 . . . . 0.0 110.519 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 t -163.3 -178.77 6.14 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.802 0.441 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -146.93 168.15 22.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.229 0.538 . . . . 0.0 111.228 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -15.1 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.062 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -84.51 -27.13 27.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.905 0.32 . . . . 0.0 111.45 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -80.77 -34.91 33.85 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.006 0.366 . . . . 0.0 110.019 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.35 -41.69 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.71 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.91 -24.59 63.41 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.941 0.791 . . . . 0.0 110.998 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -26.77 63.83 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 122.153 0.181 . . . . 0.0 110.931 174.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.06 -35.94 17.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.48 67.99 7.64 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -53.66 150.64 6.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.867 0.867 . . . . 0.0 111.655 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.47 -3.39 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.447 1.899 . . . . 0.0 114.516 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.2 m -91.42 -176.53 4.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.681 0.673 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.2 m -137.11 152.23 49.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.3 mp -110.0 41.97 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 CA-C-O 121.378 0.608 . . . . 0.0 109.566 -174.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.5 t60 61.14 -27.34 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.199 1.799 . . . . 0.0 114.581 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' A' ' 36' ' ' ILE . 24.3 m-20 -157.8 -27.23 0.08 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.37 1.468 . . . . 0.0 110.597 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 77.54 128.69 0.41 Allowed Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -174.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.99 10.8 0.12 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.886 0.874 . . . . 0.0 112.811 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -143.13 16.99 1.91 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.326 1.05 . . . . 0.0 111.206 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 5.03 2.05 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.01 160.19 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 117.495 0.647 . . . . 0.0 109.724 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -152.35 160.25 43.34 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.763 0.825 . . . . 0.0 109.114 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -146.27 169.48 18.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.437 0.695 . . . . 0.0 109.51 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 58' ' ' PHE . 6.3 mt . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 121.412 0.625 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 46' ' ' ILE . 99.9 m-85 -136.85 162.45 33.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.006 0.923 . . . . 0.0 108.936 172.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -144.0 104.86 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.18 152.84 43.82 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.8 -174.2 3.24 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.1 -22.62 9.11 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 119.117 -0.824 . . . . 0.0 114.044 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 t -160.3 173.36 15.8 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.849 1.325 . . . . 0.0 111.994 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.2 tt0 -59.32 -29.19 67.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.918 0.887 . . . . 0.0 110.524 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.06 -30.0 66.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.959 -0.463 . . . . 0.0 110.533 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -75.86 -36.74 59.48 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.243 -0.285 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.6 -38.03 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.77 -46.65 87.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.268 0.485 . . . . 0.0 110.346 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 51.5 mtm -66.48 -27.19 67.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.3 -30.15 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.087 0.403 . . . . 0.0 111.043 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.7 mt -79.36 -14.48 58.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.084 0.554 . . . . 0.0 111.719 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -68.32 -7.46 31.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 27.68 3.98 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.362 0.528 . . . . 0.0 110.465 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.41 -11.96 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -150.8 23.93 0.77 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.246 1.384 . . . . 0.0 112.286 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -69.39 -164.53 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.583 -0.698 . . . . 0.0 112.161 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -142.71 178.91 7.31 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.388 0.675 . . . . 0.0 111.83 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 56.7 mtt -117.87 -12.63 10.15 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.133 0.573 . . . . 0.0 111.71 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.19 -21.67 4.57 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-O 119.724 -0.487 . . . . 0.0 112.861 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -142.18 -2.61 1.13 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.635 0.717 . . . . 0.0 111.64 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 81' ' ' ARG . 12.5 tpt180 -155.95 166.65 32.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.275 1.5 p90 -115.39 162.88 16.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.74 0.781 . . . . 0.0 112.538 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 mm -130.55 165.61 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -169.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -147.31 151.17 36.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 110.527 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.61 147.01 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -148.52 157.38 43.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.1 151.53 26.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.753 -0.592 . . . . 0.0 111.245 -173.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -141.26 -179.98 6.43 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.575 0.35 . . . . 0.0 111.677 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -152.29 17.17 0.64 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.342 0.657 . . . . 0.0 112.512 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 74.3 -32.66 0.23 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.085 1.754 . . . . 0.0 113.939 174.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 37.1 m -62.64 -39.35 93.58 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 119.003 0.82 . . . . 0.0 110.239 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.01 -39.88 72.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.5 ttp -62.22 -40.97 97.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.535 0.334 . . . . 0.0 110.632 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.64 -28.37 66.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.361 0.265 . . . . 0.0 111.71 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -78.06 -63.74 1.32 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.14 -21.22 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -172.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.63 -12.69 35.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.408 0.549 . . . . 0.0 111.526 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.325 0.65 . . . . 0.0 112.601 -176.56 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.1 m-85 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.044 0.45 . . . . 0.0 109.86 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.42 152.53 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.67 171.71 14.7 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -110.2 162.97 14.08 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 123.278 0.631 . . . . 0.0 109.362 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 138.43 37.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -148.02 148.48 30.76 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 124.974 1.31 . . . . 0.0 107.589 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.7 -177.25 22.59 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.336 -0.459 . . . . 0.0 112.381 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.9 mt 59.08 154.69 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 125.17 1.388 . . . . 0.0 114.039 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.56 86.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 1 C-N-CA 125.835 4.357 . . . . 0.0 114.22 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 50.79 4.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 176.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -155.46 159.61 39.95 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 121.148 1.795 . . . . 0.0 113.223 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -161.22 171.97 17.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.99 1.316 . . . . 0.0 108.749 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -142.85 166.83 23.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.0 0.52 . . . . 0.0 110.324 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.77 -21.09 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.62 -24.9 33.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 119.691 -0.195 . . . . 0.0 111.152 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -83.79 -38.51 21.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.17 -35.2 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 119.799 -0.143 . . . . 0.0 110.776 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.12 -26.17 56.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.093 0.406 . . . . 0.0 110.326 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -15.99 62.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.235 0.614 . . . . 0.0 111.49 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -108.13 -26.93 10.38 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 7.8 mp -87.27 50.63 2.05 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 173.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.5 m -64.72 9.72 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.466 1.506 . . . . 0.0 113.883 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 31' ' ' LEU . 2.8 m-20 -134.89 6.28 3.4 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.276 0.63 . . . . 0.0 110.1 -178.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 59.2 m -131.55 177.42 7.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.958 0.903 . . . . 0.0 110.981 -169.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.4 m -131.69 149.88 52.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.531 ' C ' ' H ' ' A' ' 38' ' ' ASP . 24.6 mt -116.98 41.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.81 0.814 . . . . 0.0 109.481 -166.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.5 t60 60.62 -19.93 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.914 1.685 . . . . 0.0 113.896 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.6 m-20 -155.24 -36.97 0.09 Allowed 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 125.414 1.486 . . . . 0.0 109.472 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.9 -39.45 2.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 124.166 0.889 . . . . 0.0 111.473 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.69 11.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 110.422 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . . . -127.77 16.63 6.9 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.225 0.61 . . . . 0.0 111.099 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.1 5.08 6.86 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.33 160.31 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 123.236 0.615 . . . . 0.0 109.913 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -151.84 161.62 42.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.725 0.81 . . . . 0.0 109.186 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -146.34 167.97 22.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.095 -173.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.413 0.625 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -132.18 162.77 30.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.16 0.984 . . . . 0.0 108.7 171.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.5 t -143.64 109.0 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.37 149.1 42.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -127.19 -171.38 2.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.734 0.302 . . . . 0.0 110.52 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.77 -32.19 5.16 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.223 -0.765 . . . . 0.0 113.499 -175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -152.42 170.51 19.94 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.284 1.042 . . . . 0.0 111.734 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.447 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.3 tt0 -59.03 -30.13 67.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.255 0.622 . . . . 0.0 110.557 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.5 -27.11 65.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.965 -0.459 . . . . 0.0 110.79 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.96 -38.03 38.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 122.025 -0.422 . . . . 0.0 110.575 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.77 -41.54 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.6 -45.84 92.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 117.919 0.327 . . . . 0.0 110.496 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.4 mtm -71.37 -27.34 63.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.96 68.61 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.607 0.639 . . . . 0.0 110.209 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.4 mt -78.81 -17.93 54.9 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.846 0.458 . . . . 0.0 111.231 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.3 -7.92 41.48 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 22.63 5.69 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.845 0.748 . . . . 0.0 111.273 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -48.44 -0.46 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -151.65 11.84 0.6 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.272 1.396 . . . . 0.0 111.83 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.99 -163.5 0.11 Allowed 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.702 0.763 . . . . 0.0 112.302 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.3 t -142.11 150.2 40.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.881 0.872 . . . . 0.0 110.071 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.7 mtt -74.79 -9.73 58.83 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.568 0.347 . . . . 0.0 110.497 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.53 -14.0 5.86 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -143.92 -9.01 0.7 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -158.07 145.66 18.32 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 118.925 0.784 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.15 139.06 50.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.383 1.873 . . . . 0.0 111.875 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.8 mm -128.46 165.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 125.263 1.425 . . . . 0.0 108.039 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -143.8 153.41 42.36 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.731 0.301 . . . . 0.0 110.669 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 t -141.98 136.45 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -133.36 151.33 51.84 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -173.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -78.1 144.54 36.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.639 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -140.54 -179.2 5.89 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.737 0.415 . . . . 0.0 110.799 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -149.29 12.09 0.82 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.525 0.73 . . . . 0.0 111.52 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 76.48 -29.42 0.18 Allowed 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.658 1.583 . . . . 0.0 113.417 172.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.8 m -66.63 -38.75 87.56 Favored 'General case' 0 N--CA 1.459 0.023 0 CA-C-N 118.73 0.695 . . . . 0.0 110.124 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.73 -41.15 79.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -59.56 -45.08 92.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -29.97 70.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.478 0.311 . . . . 0.0 111.709 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -73.07 -57.59 3.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.32 -26.07 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.25 -7.43 42.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.785 0.721 . . . . 0.0 111.118 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 C--N 1.34 0.177 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -173.482 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 4.7 m-30 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 121.326 0.584 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -132.08 149.14 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.87 159.15 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-O 121.381 0.61 . . . . 0.0 111.982 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -91.2 158.35 16.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.774 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.79 124.42 16.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -134.59 162.43 32.3 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 -147.57 16.29 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.943 -0.365 . . . . 0.0 112.27 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 38.82 95.31 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 126.655 1.982 . . . . 0.0 114.555 177.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 20' ' ' TRP . 60.9 Cg_endo -69.7 111.38 2.78 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.739 2.959 . . . . 0.0 110.067 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 70.3 m95 -137.6 2.93 2.49 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 126.02 1.728 . . . . 0.0 110.672 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -158.61 165.63 34.01 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.073 0.549 . . . . 0.0 110.395 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.13 -173.19 4.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.891 0.876 . . . . 0.0 109.548 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -109.85 164.09 12.91 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -17.77 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.082 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -79.21 -24.94 42.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.669 0.388 . . . . 0.0 111.455 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.19 -38.72 26.59 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.37 -36.56 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.55 -26.36 61.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.46 0.573 . . . . 0.0 110.619 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -28.98 65.3 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.462 0.305 . . . . 0.0 110.992 176.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -85.46 -30.74 23.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.52 66.66 8.22 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 p -49.99 145.46 5.65 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.44 0.696 . . . . 0.0 111.477 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 56.58 -5.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.42 1.888 . . . . 0.0 114.893 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.7 176.25 8.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 119.306 0.957 . . . . 0.0 110.368 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -139.74 111.47 7.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.522 ' H ' HD11 ' A' ' 36' ' ' ILE . 4.8 mp -72.76 145.08 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -51.16 -20.84 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -146.62 -15.16 0.43 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.463 0.574 . . . . 0.0 112.533 175.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.64 0.15 87.99 Favored Glycine 0 C--N 1.338 0.663 0 CA-C-N 118.494 0.588 . . . . 0.0 113.604 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -179.9 0.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.971 1.308 . . . . 0.0 111.096 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.81 12.73 4.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.447 0.299 . . . . 0.0 111.559 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.57 0.67 18.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.78 158.7 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -151.97 162.96 40.25 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.282 0.633 . . . . 0.0 109.315 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.92 168.63 23.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.674 0.789 . . . . 0.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.231 0.111 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.807 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.467 0.175 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -139.54 167.7 21.49 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.058 0.543 . . . . 0.0 110.426 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 52.2 t -146.79 124.74 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.543 0.737 . . . . 0.0 109.332 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -84.97 150.01 25.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.51 -173.97 3.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.927 0.394 . . . . 0.0 111.189 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.38 -34.06 5.18 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.19 -0.784 . . . . 0.0 113.638 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.1 m -151.42 170.93 18.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 118.314 1.057 . . . . 0.0 111.918 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.5 tt0 -59.62 -29.63 68.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.193 0.597 . . . . 0.0 110.875 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.16 -26.34 64.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.911 -0.493 . . . . 0.0 110.648 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -80.21 -36.67 34.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.371 -0.206 . . . . 0.0 110.667 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -38.85 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.13 -45.99 92.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.173 0.442 . . . . 0.0 110.35 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.9 mtm -67.83 -27.18 66.49 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.52 65.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.432 0.56 . . . . 0.0 110.859 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.4 mt -80.31 -12.97 59.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.204 0.602 . . . . 0.0 111.6 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.41 -5.5 28.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.87 25.36 4.31 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 118.521 0.601 . . . . 0.0 110.409 178.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -46.92 -10.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -152.67 29.31 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.286 1.403 . . . . 0.0 111.923 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.3 -166.44 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.002 -0.437 . . . . 0.0 111.026 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 79' ' ' GLY . 50.2 m -138.69 5.76 2.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.7 mtt 52.04 3.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.011 0.823 . . . . 0.0 112.625 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 109.25 -16.18 32.52 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.025 -0.875 . . . . 0.0 113.201 177.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -149.26 5.69 0.65 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.843 1.322 . . . . 0.0 114.367 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.608 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 7.4 tpt180 -143.6 -129.22 0.09 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.373 0.988 . . . . 0.0 111.542 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.608 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -165.29 121.38 1.39 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -123.84 169.77 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -147.9 145.47 28.65 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -143.85 125.5 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -133.13 153.63 51.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.65 155.03 40.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -142.03 -178.25 5.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.075 0.464 . . . . 0.0 110.908 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -145.05 9.34 1.27 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.556 0.743 . . . . 0.0 111.285 -176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 76.71 -24.48 0.22 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.378 1.471 . . . . 0.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -70.59 -40.24 73.37 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.482 0.583 . . . . 0.0 109.706 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -36.62 80.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.2 ttp -58.18 -48.28 80.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.17 -30.59 69.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.638 0.375 . . . . 0.0 111.332 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -67.47 -20.46 65.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.468 0.707 . . . . 0.0 112.773 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.11 -20.09 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.317 0.508 . . . . 0.0 111.539 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.23 -7.22 28.62 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.731 0.696 . . . . 0.0 111.16 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 123.962 0.905 . . . . 0.0 111.959 -178.563 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.9 m-30 . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.18 149.79 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.33 158.41 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 121.377 0.608 . . . . 0.0 111.133 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -90.35 156.47 18.23 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -141.67 144.24 34.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 mtp-105 -149.47 162.4 40.2 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.27 -165.66 12.28 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.486 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 58.5 mt 62.08 173.17 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.324 0 C-N-CA 124.053 0.941 . . . . 0.0 111.44 -178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 97.3 Cg_exo -46.62 173.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 124.418 3.412 . . . . 0.0 113.764 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -58.99 -1.9 0.2 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -148.27 166.12 28.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.387 1.075 . . . . 0.0 109.87 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -156.92 176.76 12.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.65 0.38 . . . . 0.0 110.543 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -141.94 158.75 43.41 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.422 0.689 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -68.22 -19.36 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.326 0.651 . . . . 0.0 112.654 -173.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.83 -26.04 37.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.377 0.535 . . . . 0.0 111.448 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -80.92 -39.12 26.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -67.19 -32.97 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.49 -25.83 38.56 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.696 0.68 . . . . 0.0 111.242 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -25.56 64.83 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.698 0.226 . . . . 0.0 110.84 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 36.3 t80 -88.55 -31.76 18.49 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.88 0.472 . . . . 0.0 111.885 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -90.98 61.97 4.78 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -54.57 152.14 7.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.373 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.49 -5.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.076 1.75 . . . . 0.0 114.383 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -85.44 -175.71 5.79 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.096 0.862 . . . . 0.0 110.431 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 m -137.45 150.63 47.74 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.2 mp -112.88 42.07 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-O 121.326 0.584 . . . . 0.0 109.627 -173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.9 t60 63.12 -42.91 0.2 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.222 1.809 . . . . 0.0 114.121 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -148.89 -2.07 0.48 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.899 1.28 . . . . 0.0 110.767 171.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 99.89 -128.49 9.59 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.219 -1.553 . . . . 0.0 109.219 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.2 5.81 0.14 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.684 0.794 . . . . 0.0 112.164 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -117.53 16.47 14.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.291 1.036 . . . . 0.0 111.144 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.4 2.1 2.5 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.0 p -74.51 163.3 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 117.582 0.691 . . . . 0.0 109.552 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -150.67 152.57 34.16 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.769 0.427 . . . . 0.0 110.307 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.96 161.09 43.4 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.378 1.071 . . . . 0.0 108.673 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.816 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -145.86 169.41 18.62 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.456 1.102 . . . . 0.0 109.207 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -145.26 108.69 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -70.99 152.42 43.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -130.91 -170.89 2.44 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -112.02 -26.1 4.51 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.915 -0.936 . . . . 0.0 113.808 -174.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.8 m -150.12 167.86 25.62 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 118.564 1.182 . . . . 0.0 111.632 -177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.7 tt0 -59.98 -30.29 69.02 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.019 0.527 . . . . 0.0 110.555 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.55 -25.68 64.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.723 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -38.57 47.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.235 -0.291 . . . . 0.0 110.33 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -68.73 -38.73 79.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -59.59 -48.48 81.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.868 0.304 . . . . 0.0 110.192 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.3 mtm -66.67 -29.54 69.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.06 -28.48 63.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.389 0.541 . . . . 0.0 111.442 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.4 mt -80.09 -15.2 57.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.757 0.423 . . . . 0.0 111.716 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -67.04 -5.88 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.51 24.59 4.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 118.533 0.606 . . . . 0.0 110.54 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.44 -19.87 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -149.96 6.43 0.6 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.306 1.412 . . . . 0.0 112.096 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -80.98 -167.35 1.38 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.229 0.468 . . . . 0.0 111.062 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.2 m -128.55 156.66 42.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.759 -169.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.5 mtt -67.15 -19.91 65.67 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.837 0.455 . . . . 0.0 110.642 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.23 -8.32 5.37 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -148.05 -11.2 0.38 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -152.59 146.75 25.45 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.937 0.789 . . . . 0.0 111.845 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.77 132.03 43.08 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.841 2.056 . . . . 0.0 111.098 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 84' ' ' GLU . 3.7 mm -124.28 170.14 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' H ' HG22 ' A' ' 83' ' ' ILE . 11.5 mt-10 -145.16 148.07 33.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.197 0.199 . . . . 0.0 110.596 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.76 153.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 C-N-CA 123.63 0.772 . . . . 0.0 108.976 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -158.83 152.65 23.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -71.72 149.84 45.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 t -139.46 -178.63 5.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.241 0.543 . . . . 0.0 111.316 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -145.63 8.83 1.16 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.855 0.862 . . . . 0.0 111.198 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 77.58 -25.28 0.2 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.403 1.481 . . . . 0.0 113.567 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.3 m -69.17 -39.48 78.72 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 118.703 0.683 . . . . 0.0 110.04 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -68.14 -40.82 82.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -59.56 -46.62 88.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -65.04 -31.59 72.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.533 0.333 . . . . 0.0 111.751 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -70.04 -49.89 46.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.8 p -80.64 -18.23 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 117.92 0.327 . . . . 0.0 111.256 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.61 -3.38 27.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.564 -0.71 . . . . 0.0 110.833 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 123.611 0.765 . . . . 0.0 112.145 -177.682 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 121.509 0.671 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.0 t -129.61 153.91 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.89 155.71 27.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.404 0.621 . . . . 0.0 111.061 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -88.56 161.24 17.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.907 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 142.86 38.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -144.25 160.33 41.16 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.97 -157.95 19.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 87.76 159.29 0.09 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.896 1.678 . . . . 0.0 111.924 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.88 40.44 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.705 1 C-N-CA 128.05 5.833 . . . . 0.0 117.081 173.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.9 m95 61.65 9.68 2.93 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.386 1.075 . . . . 0.0 113.004 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -159.47 159.05 33.08 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.318 0.647 . . . . 0.0 109.678 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 t -165.29 174.17 10.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.021 0.528 . . . . 0.0 110.371 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.6 m -143.29 159.79 41.69 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.048 0.939 . . . . 0.0 108.636 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.7 m -64.92 -21.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.6 -25.81 35.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.067 0.394 . . . . 0.0 111.541 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -81.87 -33.53 30.53 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.153 0.433 . . . . 0.0 110.476 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -72.62 -38.79 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.407 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -75.49 -20.52 58.72 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.638 0.654 . . . . 0.0 111.012 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -29.91 67.61 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.243 -0.286 . . . . 0.0 110.522 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -85.72 -19.97 30.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.574 0.35 . . . . 0.0 111.364 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD1' ' HZ1' ' A' ' 73' ' ' LYS . 7.7 mp -100.46 61.89 1.05 Allowed 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.907 0.883 . . . . 0.0 108.89 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 m -53.02 146.3 11.38 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.926 0.491 . . . . 0.0 110.838 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 60.02 -6.03 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.026 1.73 . . . . 0.0 114.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -77.54 -176.97 4.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 119.067 0.849 . . . . 0.0 110.306 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -134.66 155.03 51.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.568 ' C ' ' H ' ' A' ' 38' ' ' ASP . 16.6 mm -114.38 29.37 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.116 0.567 . . . . 0.0 110.088 -170.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.9 t60 59.44 -18.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.148 1.379 . . . . 0.0 113.651 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' A' ' 36' ' ' ILE . 26.7 m-20 -153.43 -28.39 0.14 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.863 1.265 . . . . 0.0 110.997 177.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.55 -6.78 33.81 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 122.989 0.328 . . . . 0.0 113.356 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -177.65 4.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 125.236 1.414 . . . . 0.0 110.806 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.51 17.61 6.96 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -175.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.53 2.18 11.22 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.37 156.8 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.772 0.829 . . . . 0.0 110.199 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -153.57 162.61 41.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.944 0.898 . . . . 0.0 108.901 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -147.98 165.62 30.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.581 0.752 . . . . 0.0 109.2 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.6 mt . . . . . 0 CA--C 1.527 0.076 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.064 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -141.6 162.99 34.13 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.028 0.442 . . . . 0.0 110.665 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -145.96 115.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.569 0.748 . . . . 0.0 109.185 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.16 149.06 35.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 mt -126.03 -172.82 2.7 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.726 0.298 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.19 -23.02 8.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.905 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 t -158.87 173.54 16.36 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 118.69 1.245 . . . . 0.0 111.903 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 35.6 tt0 -59.39 -29.99 68.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.888 0.875 . . . . 0.0 110.522 175.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.15 -30.3 68.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.99 -0.444 . . . . 0.0 110.613 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -75.83 -37.77 58.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.323 -0.236 . . . . 0.0 110.58 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.3 p -70.39 -38.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.52 -47.94 83.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.214 0.461 . . . . 0.0 110.05 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.2 mtm -63.69 -27.91 69.54 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -75.46 -29.04 59.51 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.145 -0.347 . . . . 0.0 111.569 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.9 mt -79.86 -12.54 59.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.667 0.387 . . . . 0.0 111.797 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.73 -10.7 59.35 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.472 ' HZ1' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -132.44 32.54 3.91 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 118.614 0.643 . . . . 0.0 110.688 -179.467 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -52.15 -7.4 0.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 -173.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -158.96 28.48 0.21 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 120.081 1.31 . . . . 0.0 112.414 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.03 -156.42 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.394 0.616 . . . . 0.0 111.315 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.3 t -139.73 141.34 36.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.779 0.832 . . . . 0.0 110.225 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 52.3 mtt -71.01 -12.94 61.81 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.38 -7.43 5.95 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -151.86 -7.64 0.22 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -153.95 155.57 35.86 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.434 1.015 . . . . 0.0 112.276 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.11 131.19 44.97 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.595 1.958 . . . . 0.0 109.672 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.2 mm -122.11 167.23 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -150.08 150.68 32.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -147.41 119.71 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -127.92 158.88 36.6 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -77.1 151.39 35.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.951 -0.468 . . . . 0.0 110.796 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 t -142.88 179.37 7.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 111.678 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -147.68 -10.67 0.4 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 103.41 -27.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.675 2.39 . . . . 0.0 111.858 173.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -66.97 -41.19 87.28 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.281 0.491 . . . . 0.0 110.322 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.72 -35.83 70.31 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 61.1 ttp -63.43 -38.71 92.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.44 0.296 . . . . 0.0 110.359 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.67 -27.28 62.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.132 -0.355 . . . . 0.0 111.473 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -78.38 -63.32 1.43 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.92 -18.45 21.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 122.165 -0.334 . . . . 0.0 111.805 -173.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.77 -8.44 21.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.439 0.563 . . . . 0.0 110.832 173.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.2 mttt . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 123.963 0.905 . . . . 0.0 111.93 -177.262 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.274 0.559 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -125.41 149.99 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.73 156.24 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-O 121.095 0.474 . . . . 0.0 110.812 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -86.55 159.76 19.16 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.34 142.71 32.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -148.76 152.4 36.5 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.17 170.58 20.25 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.436 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt 61.76 156.55 0.11 Allowed Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 125.27 1.428 . . . . 0.0 112.635 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.9 72.6 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 124.401 3.401 . . . . 0.0 111.776 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 48.35 35.06 5.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.424 1.09 . . . . 0.0 113.446 177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -147.37 132.69 18.5 Favored 'General case' 0 CA--C 1.527 0.077 0 O-C-N 122.032 -0.417 . . . . 0.0 110.193 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.9 t -166.76 171.15 11.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.371 0.668 . . . . 0.0 109.717 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -145.34 170.44 16.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.198 0.599 . . . . 0.0 109.927 174.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.55 -17.78 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.429 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.21 -26.98 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 117.727 0.24 . . . . 0.0 111.08 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -77.75 -36.39 50.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.81 -39.88 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.959 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -70.66 -23.77 62.57 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.774 0.716 . . . . 0.0 110.821 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.22 64.09 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.42 0.288 . . . . 0.0 111.14 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -85.24 -31.25 23.25 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -95.85 52.23 1.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.1 p -62.32 9.02 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.709 1.604 . . . . 0.0 114.808 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -126.07 7.19 7.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.079 0.552 . . . . 0.0 110.537 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -128.16 -177.11 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.38 0.672 . . . . 0.0 111.283 -170.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.0 m -133.31 134.64 44.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -89.16 41.49 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.001 0.92 . . . . 0.0 110.081 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.8 t60 62.96 -39.66 0.17 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.993 1.717 . . . . 0.0 114.025 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -149.49 -8.71 0.32 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.817 1.247 . . . . 0.0 111.321 172.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 104.8 -127.58 9.12 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -176.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.88 4.0 0.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.664 0.786 . . . . 0.0 112.013 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -115.14 17.05 16.9 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.376 1.071 . . . . 0.0 111.095 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.03 3.18 2.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.88 157.46 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 117.565 0.682 . . . . 0.0 109.919 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -152.86 162.85 40.77 Favored 'General case' 0 N--CA 1.458 -0.062 0 C-N-CA 123.562 0.745 . . . . 0.0 109.554 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -145.66 171.44 14.72 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.725 0.81 . . . . 0.0 109.363 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.437 HD13 ' CE2' ' A' ' 58' ' ' PHE . 10.3 mt . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.481 0.658 . . . . 0.0 110.968 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 121.14 0.495 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CD2' ' HG3' ' A' ' 93' ' ' MET . 97.5 m-85 -136.98 163.43 30.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.321 1.048 . . . . 0.0 108.883 173.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.9 t -145.05 108.41 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.53 149.54 42.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 mt -128.29 -177.08 4.01 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.052 0.453 . . . . 0.0 111.456 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.8 -35.45 6.43 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 119.186 -0.785 . . . . 0.0 113.688 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -152.19 172.64 16.06 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 118.303 1.052 . . . . 0.0 111.782 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 32.4 tt0 -59.01 -31.64 69.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.002 0.521 . . . . 0.0 110.778 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.88 -28.26 68.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.871 -0.518 . . . . 0.0 110.754 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -77.59 -39.69 44.74 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.348 -0.22 . . . . 0.0 110.633 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.1 p -68.64 -40.18 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -61.34 -44.88 96.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.2 mtm -70.66 -26.46 63.46 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.69 67.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.407 0.549 . . . . 0.0 110.653 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.3 mt -76.86 -18.58 58.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.085 0.554 . . . . 0.0 111.705 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.64 -7.88 17.49 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 26.88 3.84 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.426 0.631 . . . . 0.0 110.716 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -47.2 -6.63 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -155.81 27.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 120.229 1.377 . . . . 0.0 112.733 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -73.41 -157.55 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.597 0.713 . . . . 0.0 111.805 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -145.25 151.88 39.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.93 0.892 . . . . 0.0 110.057 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.8 mtt -72.54 -11.92 60.86 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.422 0.289 . . . . 0.0 110.373 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.6 -11.87 5.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -145.27 -8.47 0.59 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -158.01 146.47 18.99 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.159 0.891 . . . . 0.0 112.092 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.28 128.77 37.65 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 127.156 2.183 . . . . 0.0 111.466 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.8 mm -124.32 162.98 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -147.13 158.62 44.0 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.05 0.453 . . . . 0.0 111.777 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.24 155.07 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -156.01 155.0 31.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -76.88 151.26 35.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 121.845 -0.535 . . . . 0.0 111.066 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -145.6 179.39 7.46 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.637 0.375 . . . . 0.0 110.837 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -147.68 12.66 1.02 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.117 0.567 . . . . 0.0 111.858 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 75.43 -26.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.232 1.413 . . . . 0.0 113.584 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.2 m -69.56 -39.38 77.44 Favored 'General case' 0 N--CA 1.458 -0.05 0 CA-C-N 118.775 0.716 . . . . 0.0 109.758 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.15 -36.24 79.36 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.46 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.4 ttp -57.75 -47.99 80.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.33 -29.66 68.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 111.268 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -71.28 -20.39 62.22 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -122.79 -13.06 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 118.163 0.438 . . . . 0.0 111.566 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.94 -2.3 14.73 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.608 0.64 . . . . 0.0 110.262 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.456 -0.156 0 C-N-CA 124.465 1.106 . . . . 0.0 111.069 -178.066 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 121.232 0.539 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -133.74 151.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.6 160.16 27.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.231 0.539 . . . . 0.0 111.065 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -90.58 164.47 14.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.06 139.66 30.61 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -144.82 150.81 37.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.98 -157.83 22.39 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.756 172.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 61.33 150.63 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 125.909 1.684 . . . . 0.0 111.941 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -41.79 -53.32 3.43 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.746 3.631 . . . . 0.0 113.921 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -159.29 -8.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.401 0.681 . . . . 0.0 111.414 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -156.07 169.03 25.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.316 0.507 . . . . 0.0 110.687 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 t -156.11 177.42 11.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.799 0.839 . . . . 0.0 109.001 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -137.42 160.29 39.51 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 122.992 0.517 . . . . 0.0 109.609 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.04 -19.17 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.44 -26.31 26.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.968 0.349 . . . . 0.0 111.456 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -81.67 -35.77 29.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -69.36 -40.17 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.055 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -71.1 -23.75 62.16 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.835 0.743 . . . . 0.0 111.113 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -25.22 63.3 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.251 0.22 . . . . 0.0 111.132 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -89.29 -34.43 16.59 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.28 61.34 6.77 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.434 0.561 . . . . 0.0 109.994 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 34' ' ' CYS . 46.6 m -54.51 152.08 7.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.023 0.529 . . . . 0.0 111.186 177.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 62.75 -14.48 0.06 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.552 1.941 . . . . 0.0 114.038 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.415 ' H ' ' C ' ' A' ' 32' ' ' SER . 78.3 m -80.21 178.73 8.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 110.68 177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.1 m -136.2 152.11 50.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 38' ' ' ASP . 35.7 mt -121.51 41.37 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-O 121.742 0.782 . . . . 0.0 110.282 -164.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.8 t60 63.78 -29.0 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.06 1.744 . . . . 0.0 114.201 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.3 m-20 -158.25 -26.97 0.08 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.124 1.37 . . . . 0.0 110.998 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.401 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 75.4 131.48 0.3 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -172.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.34 9.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.786 0.834 . . . . 0.0 112.9 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -143.58 18.05 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.186 0.995 . . . . 0.0 111.238 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.94 6.19 4.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.82 158.18 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.146 0.578 . . . . 0.0 109.896 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -153.04 157.67 40.83 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.102 0.561 . . . . 0.0 110.304 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -145.76 172.91 12.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.299 1.04 . . . . 0.0 108.622 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 HD13 ' CE2' ' A' ' 58' ' ' PHE . 34.3 mt . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.578 0.704 . . . . 0.0 110.256 -173.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.4 ' CE2' HD13 ' A' ' 46' ' ' ILE . 87.2 m-85 -142.65 170.45 15.67 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.487 1.115 . . . . 0.0 109.617 175.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -147.26 118.52 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 123.659 0.784 . . . . 0.0 108.907 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -76.91 154.29 33.83 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.28 -173.7 3.23 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.11 -21.32 7.44 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.12 -0.822 . . . . 0.0 114.064 -173.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -158.1 171.53 20.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.765 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 33.0 tt0 -59.16 -29.67 67.6 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.929 0.892 . . . . 0.0 110.511 175.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.73 -28.02 64.4 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.902 -0.499 . . . . 0.0 110.584 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.03 -36.66 48.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.201 -0.312 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.03 -38.33 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.87 -46.99 87.03 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.244 0.474 . . . . 0.0 110.289 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.3 mtm -66.76 -28.28 68.28 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.11 -29.51 64.16 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.262 0.483 . . . . 0.0 111.18 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.24 -15.2 57.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.166 0.586 . . . . 0.0 111.811 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.46 -7.92 29.3 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 27.71 3.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.251 0.548 . . . . 0.0 110.55 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -46.65 -11.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -155.82 29.02 0.37 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.881 1.219 . . . . 0.0 112.504 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.27 -158.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.596 0.713 . . . . 0.0 111.687 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -144.99 150.52 37.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.857 0.863 . . . . 0.0 110.089 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.67 -13.1 61.64 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.48 -7.52 5.92 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -151.3 -7.99 0.24 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -153.17 148.8 27.33 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.364 0.984 . . . . 0.0 112.443 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.4 124.82 23.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 127.008 2.123 . . . . 0.0 110.593 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -124.26 160.66 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -148.67 160.31 43.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 111.61 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.03 146.38 20.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -146.86 151.11 36.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -73.08 146.94 45.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.064 -0.398 . . . . 0.0 110.997 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -141.35 -177.55 5.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.041 0.448 . . . . 0.0 110.731 -176.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -146.0 9.63 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.506 0.722 . . . . 0.0 111.429 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 75.59 -25.96 0.2 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.62 1.568 . . . . 0.0 113.683 173.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.1 m -68.84 -39.08 80.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.788 0.722 . . . . 0.0 109.777 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.85 -39.09 83.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.48 -47.7 81.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.19 -30.41 69.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.6 0.36 . . . . 0.0 111.604 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.394 0.678 . . . . 0.0 112.765 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.1 p -120.84 -18.76 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.294 0.497 . . . . 0.0 111.661 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.04 -5.2 16.24 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.61 0.641 . . . . 0.0 110.75 172.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.455 -0.184 0 C-N-CA 124.206 1.002 . . . . 0.0 111.001 -177.227 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.4 m-85 . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.49 153.59 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.0 m -136.78 154.28 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.292 0.568 . . . . 0.0 111.348 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -85.46 159.71 19.88 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.829 175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.41 132.42 24.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -145.63 172.51 13.16 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 122.6 0.36 . . . . 0.0 110.049 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.85 -128.63 9.35 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mt 70.05 165.72 0.13 Allowed Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 122.715 0.406 . . . . 0.0 109.906 172.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' CZ ' ' A' ' 81' ' ' ARG . 83.7 Cg_endo -76.89 -21.12 12.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.643 2.229 . . . . 0.0 112.784 -170.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 164.69 -30.49 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.315 1.846 . . . . 0.0 108.325 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -155.02 169.88 23.06 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.639 1.176 . . . . 0.0 109.477 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.6 t -160.95 -175.4 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.221 -0.299 . . . . 0.0 111.594 -176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -139.35 163.44 32.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.16 0.984 . . . . 0.0 110.047 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.4 -20.64 26.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -84.83 -27.26 26.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.462 0.574 . . . . 0.0 111.523 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -79.74 -35.06 39.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.01 0.368 . . . . 0.0 110.037 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -67.37 -44.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.688 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -73.67 -18.16 61.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 119.11 0.868 . . . . 0.0 111.649 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -28.11 63.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.896 0.316 . . . . 0.0 110.492 173.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.17 -36.79 34.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -80.62 175.57 10.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 34' ' ' CYS . 22.9 t -153.85 157.85 39.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.885 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 52.49 7.62 0.07 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.979 1.312 . . . . 0.0 113.264 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.412 ' H ' ' C ' ' A' ' 32' ' ' SER . 18.7 p -79.17 179.57 7.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.24 1.016 . . . . 0.0 110.287 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -140.82 5.95 1.99 Allowed 'General case' 0 C--N 1.338 0.083 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 mm 43.82 24.32 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.514 1.926 . . . . 0.0 113.717 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.9 t60 63.26 -36.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.718 1.607 . . . . 0.0 113.967 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -152.45 -2.36 0.26 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.24 1.016 . . . . 0.0 111.552 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 102.35 -137.3 13.29 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -173.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 0.1 0.19 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.197 0.599 . . . . 0.0 112.304 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -105.16 16.85 25.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.324 1.05 . . . . 0.0 111.493 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.69 3.29 4.22 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 p -75.09 157.99 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.486 0.643 . . . . 0.0 109.383 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -150.72 162.2 41.17 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.55 0.74 . . . . 0.0 109.143 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -145.75 173.91 11.68 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.943 0.497 . . . . 0.0 110.58 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -174.269 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.9 0.857 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -139.31 161.41 37.5 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.15 171.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.6 t -142.37 110.61 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -74.9 153.97 38.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -132.08 -174.51 3.45 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.81 -24.92 7.85 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.97 -0.906 . . . . 0.0 114.168 -175.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.1 m -148.11 165.56 30.47 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.729 1.265 . . . . 0.0 112.235 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.7 tt0 -59.93 -30.38 69.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.137 0.575 . . . . 0.0 110.479 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.93 -29.31 68.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.204 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -73.65 -41.2 63.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.207 -0.308 . . . . 0.0 110.289 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -40.42 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.53 -43.96 97.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 63.6 mtm -67.07 -30.05 69.99 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.79 63.26 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.286 0.494 . . . . 0.0 111.337 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.8 -17.31 57.61 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.099 0.56 . . . . 0.0 111.825 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.87 -6.14 11.28 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 28.86 3.31 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 118.633 0.652 . . . . 0.0 110.661 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -44.57 -11.9 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -149.39 22.13 0.93 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.959 1.254 . . . . 0.0 112.757 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -69.58 -168.21 0.17 Allowed 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.659 -0.651 . . . . 0.0 112.158 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -139.0 174.38 10.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.51 0.724 . . . . 0.0 111.911 -171.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.9 mtt -110.79 -13.97 14.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.957 0.503 . . . . 0.0 111.574 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.47 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.704 -0.498 . . . . 0.0 113.411 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -149.64 4.61 0.59 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.844 0.822 . . . . 0.0 111.285 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.405 ' CZ ' ' HD3' ' A' ' 19' ' ' PRO . 36.2 ttp-105 -155.22 162.93 40.8 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.27 1.7 p90 -118.02 164.09 15.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.105 0.955 . . . . 0.0 113.397 -176.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 mm -132.25 165.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -169.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -143.2 148.29 36.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.607 0.242 . . . . 0.0 110.435 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.81 153.71 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -158.53 163.6 36.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -79.41 155.17 28.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.968 -0.458 . . . . 0.0 110.977 -175.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t -144.49 177.61 8.53 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.983 0.513 . . . . 0.0 110.907 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -153.05 15.06 0.54 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.328 0.651 . . . . 0.0 112.252 -172.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 74.7 -34.52 0.27 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.318 1.847 . . . . 0.0 114.005 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -64.6 -39.25 93.39 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 119.04 0.836 . . . . 0.0 110.424 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -68.62 -42.78 77.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.3 ttp -59.5 -42.68 92.73 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.535 0.522 . . . . 0.0 110.863 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.94 -30.05 71.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -83.26 -22.08 33.15 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.68 -10.8 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 122.653 0.381 . . . . 0.0 112.009 -175.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -6.5 28.82 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.602 -0.686 . . . . 0.0 111.408 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 t -138.78 144.05 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.62 160.42 27.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.31 0.576 . . . . 0.0 111.464 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -94.95 160.58 14.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.294 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.29 141.16 45.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -153.9 162.98 40.79 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.757 0.823 . . . . 0.0 109.061 -174.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.57 -164.21 14.69 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' C ' ' H ' ' A' ' 20' ' ' TRP . 70.1 mt 70.18 172.87 0.1 OUTLIER Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.186 1.394 . . . . 0.0 110.361 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.83 28.43 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.676 1 C-N-CA 125.701 4.268 . . . . 0.0 115.159 173.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.476 ' H ' ' C ' ' A' ' 18' ' ' LEU . 12.8 m0 51.35 32.61 8.66 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.056 0.942 . . . . 0.0 111.141 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.0 t -151.61 138.23 18.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.565 1.146 . . . . 0.0 107.95 173.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 t -162.54 174.67 12.34 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.439 0.295 . . . . 0.0 110.436 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -142.64 162.95 34.14 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.026 0.93 . . . . 0.0 109.456 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.96 -19.84 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.91 -24.28 35.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.882 0.31 . . . . 0.0 111.683 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -84.46 -35.91 22.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.988 0.358 . . . . 0.0 110.265 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.7 -36.35 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.755 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.07 -26.95 59.73 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.432 0.56 . . . . 0.0 110.951 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -25.08 64.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.467 0.307 . . . . 0.0 111.011 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -95.1 -21.43 18.54 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -102.51 62.11 0.84 Allowed 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 p -53.11 153.14 3.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 111.07 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 57.86 -1.59 0.08 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.672 1.589 . . . . 0.0 114.787 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.52 178.93 4.96 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.369 0.986 . . . . 0.0 110.068 175.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -123.39 -18.91 6.08 Favored 'General case' 0 N--CA 1.46 0.075 0 C-N-CA 122.678 0.391 . . . . 0.0 111.986 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.7 mt 54.7 23.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.408 1.083 . . . . 0.0 112.128 172.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.4 t60 67.36 -42.93 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.704 1.602 . . . . 0.0 113.304 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -152.56 1.72 0.32 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.3 1.04 . . . . 0.0 111.388 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 84.61 -120.14 5.19 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.82 5.4 0.13 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.116 0.966 . . . . 0.0 112.676 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -126.68 19.07 7.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.934 0.894 . . . . 0.0 111.222 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.45 0.92 4.35 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 p -74.1 160.94 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 117.28 0.54 . . . . 0.0 109.983 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -151.27 160.4 43.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.916 0.887 . . . . 0.0 108.978 172.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -145.33 173.54 11.89 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.459 0.704 . . . . 0.0 109.454 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.0 mt . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.704 0.288 . . . . 0.0 111.003 -172.658 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 121.38 0.609 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.44 ' CD2' ' HG3' ' A' ' 93' ' ' MET . 88.5 m-85 -139.26 164.95 28.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.005 0.922 . . . . 0.0 108.812 171.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 t -144.96 112.52 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -77.85 150.0 34.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 mt -126.57 -167.03 1.66 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.579 0.352 . . . . 0.0 110.359 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -117.93 -22.23 3.97 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.986 -0.896 . . . . 0.0 113.966 -174.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -149.97 168.47 23.73 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 118.805 1.302 . . . . 0.0 111.603 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.39 -32.96 71.81 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.946 0.498 . . . . 0.0 110.286 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.37 -28.4 69.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.428 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -76.41 -41.49 47.55 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.196 -0.315 . . . . 0.0 110.378 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.92 -39.42 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -61.52 -43.41 98.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 117.991 0.36 . . . . 0.0 110.252 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.5 mtm -66.03 -31.37 72.22 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.9 60.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.239 0.472 . . . . 0.0 111.337 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.94 -13.89 55.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.049 0.539 . . . . 0.0 112.025 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.42 -8.39 32.7 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.7 25.21 4.03 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 123.498 0.719 . . . . 0.0 110.217 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.2 -12.94 0.06 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -159.57 34.16 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.428 1.013 . . . . 0.0 112.38 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -111.82 -173.61 2.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.517 0.327 . . . . 0.0 110.869 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -119.01 151.26 38.53 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -163.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.8 mtt -71.36 -26.85 62.98 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.781 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.1 -9.22 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.125 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -147.0 -17.69 0.4 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.833 1.316 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -151.64 163.44 39.09 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.419 ' C ' HD13 ' A' ' 83' ' ' ILE 0.304 0.8 OUTLIER -103.44 154.84 19.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -170.865 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 82' ' ' TYR . 1.6 mp -121.53 163.33 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -173.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -137.61 145.55 42.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.11 153.55 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -157.97 159.01 36.01 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -75.53 151.55 37.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -177.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.4 t -138.31 176.41 8.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.846 0.355 . . . . 0.0 111.072 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -143.01 13.85 1.87 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.582 0.753 . . . . 0.0 111.859 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 74.34 -33.15 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.624 1.57 . . . . 0.0 112.853 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.3 m -65.73 -39.36 91.08 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.537 0.608 . . . . 0.0 110.396 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.68 -40.43 72.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 63.4 ttp -57.02 -47.21 81.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.34 -30.84 71.32 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.542 0.211 . . . . 0.0 111.541 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -71.38 -24.86 62.15 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.559 0.744 . . . . 0.0 112.873 -176.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.73 -12.97 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 117.926 0.33 . . . . 0.0 111.117 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.3 -2.74 17.26 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.468 -0.77 . . . . 0.0 111.019 172.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mttp . . . . . 0 CA--C 1.529 0.161 0 C-N-CA 123.559 0.744 . . . . 0.0 112.183 -178.44 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.5 m-85 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 121.299 0.571 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -129.44 151.88 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -137.19 157.86 35.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 121.225 0.536 . . . . 0.0 111.07 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -90.73 155.14 19.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 175.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.07 133.9 28.94 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -143.44 153.78 43.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.05 -169.36 23.34 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.123 -0.561 . . . . 0.0 113.59 174.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.8 mt 60.75 151.3 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 125.025 1.33 . . . . 0.0 113.314 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -63.81 89.93 0.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 124.817 3.678 . . . . 0.0 112.646 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 13.6 m95 56.59 0.37 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 115.946 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -152.04 160.09 43.54 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 119.422 1.01 . . . . 0.0 111.466 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.4 t -162.43 173.31 14.26 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.208 1.003 . . . . 0.0 109.054 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.8 p -148.43 166.69 27.36 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 122.92 0.488 . . . . 0.0 110.461 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -67.29 -18.99 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 119.685 -0.198 . . . . 0.0 111.531 -176.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.89 -28.69 27.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.949 0.34 . . . . 0.0 111.55 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -78.82 -35.91 43.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.121 0.418 . . . . 0.0 110.019 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.56 -38.62 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.193 -0.317 . . . . 0.0 110.806 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.91 -24.44 62.46 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.639 0.654 . . . . 0.0 110.296 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.741 0.416 . . . . 0.0 111.33 174.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -92.16 -32.76 14.99 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -91.95 53.57 2.22 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.2 p -64.68 9.13 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.869 1.668 . . . . 0.0 114.374 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -127.79 5.55 6.07 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 123.145 0.578 . . . . 0.0 110.407 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.7 m -124.93 -176.83 3.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.457 0.703 . . . . 0.0 111.188 -171.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.5 m -133.85 129.11 35.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.571 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.3 mp -85.15 42.26 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.669 1.187 . . . . 0.0 109.578 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.6 t60 60.19 -19.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 113.56 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.8 m-20 -155.38 -37.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.695 1.598 . . . . 0.0 109.115 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.6 -41.69 1.63 Allowed Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.202 0.906 . . . . 0.0 111.216 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.09 12.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.901 1.28 . . . . 0.0 110.405 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.42 18.13 6.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.3 0.64 . . . . 0.0 111.147 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.59 7.41 4.25 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.59 160.09 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.154 0.582 . . . . 0.0 109.878 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -151.12 155.46 38.97 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.223 0.609 . . . . 0.0 110.023 173.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.08 168.86 19.92 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.679 0.792 . . . . 0.0 109.341 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.402 HD12 ' CE2' ' A' ' 58' ' ' PHE . 32.7 mt . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.402 ' CE2' HD12 ' A' ' 46' ' ' ILE . 94.2 m-85 -137.66 167.11 22.35 Favored 'General case' 0 C--N 1.338 0.071 0 C-N-CA 124.851 1.26 . . . . 0.0 108.796 172.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.7 t -145.82 112.08 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.17 151.14 40.08 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.22 -177.88 4.5 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.938 0.399 . . . . 0.0 111.192 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.33 -34.2 6.82 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.905 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.3 m -153.17 171.26 18.75 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.362 1.081 . . . . 0.0 111.885 -176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.9 tt0 -59.45 -28.27 66.82 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.26 0.624 . . . . 0.0 110.994 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.51 -28.24 64.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.57 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.64 -37.54 56.16 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.259 -0.276 . . . . 0.0 110.596 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.59 -39.93 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.75 -43.19 99.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.176 0.444 . . . . 0.0 110.381 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.1 mtm -70.19 -27.42 64.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.25 -29.88 65.65 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.447 0.567 . . . . 0.0 110.834 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.6 mt -78.43 -18.26 55.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.243 0.617 . . . . 0.0 111.695 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.98 -8.45 22.88 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 26.19 3.9 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.39 0.614 . . . . 0.0 110.715 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 46.8 p30 -44.6 -12.5 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -145.81 16.37 1.42 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 120.534 1.515 . . . . 0.0 111.792 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -71.61 -161.27 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.608 0.718 . . . . 0.0 111.754 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -143.47 157.54 44.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.584 0.754 . . . . 0.0 110.315 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.1 mtt -76.46 -7.52 55.25 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.148 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.59 -17.91 6.08 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -144.03 -4.58 0.82 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -154.75 140.11 17.7 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.6 0.636 . . . . 0.0 111.315 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.411 ' CE1' ' HG2' ' A' ' 84' ' ' GLU . 1.6 t80 -67.22 145.18 55.48 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.793 1.637 . . . . 0.0 111.408 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.4 mm -132.48 157.39 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 125.343 1.457 . . . . 0.0 107.848 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 82' ' ' TYR . 4.9 mm-40 -135.1 138.16 43.53 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -176.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.9 149.58 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -154.81 155.32 34.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -75.87 155.17 35.53 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.16 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.7 t -143.3 -173.11 3.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.698 0.399 . . . . 0.0 110.209 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 2.8 p80 -140.19 -44.2 0.42 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.162 -173.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 131.19 -21.86 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.296 2.638 . . . . 0.0 112.398 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 m -67.0 -41.26 87.02 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 118.121 0.418 . . . . 0.0 110.455 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.28 -37.37 71.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 60.1 ttp -62.82 -35.7 80.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.452 0.301 . . . . 0.0 110.465 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.86 -27.77 60.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.735 0.302 . . . . 0.0 111.535 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -77.59 -64.41 1.16 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -175.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.15 -17.52 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 122.29 -0.256 . . . . 0.0 111.601 -173.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.79 -9.9 53.67 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.152 0.433 . . . . 0.0 111.246 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 CA--C 1.53 0.187 0 C-N-CA 123.549 0.74 . . . . 0.0 112.274 -176.083 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.53 148.43 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.83 154.57 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.241 0.543 . . . . 0.0 111.132 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -82.74 156.29 23.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.14 133.48 26.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -154.24 153.88 32.51 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 -172.15 24.13 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.5 -0.381 . . . . 0.0 112.428 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 mt 60.07 162.24 0.1 Allowed Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.113 1.365 . . . . 0.0 113.837 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.73 75.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 1 C-N-CA 126.475 4.784 . . . . 0.0 114.993 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.8 m95 52.61 6.0 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 t -157.82 155.75 30.27 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 120.525 1.511 . . . . 0.0 113.177 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -161.74 -179.89 7.59 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.916 1.686 . . . . 0.0 108.967 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.1 p -145.45 171.06 15.18 Favored 'General case' 0 C--N 1.339 0.126 0 O-C-N 122.049 -0.407 . . . . 0.0 111.131 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.83 -20.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.35 -28.05 34.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.983 0.356 . . . . 0.0 111.352 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -78.99 -36.59 41.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.06 0.391 . . . . 0.0 109.988 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.23 -37.23 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 O-C-N 122.395 -0.191 . . . . 0.0 110.857 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.36 -24.51 61.29 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.612 0.642 . . . . 0.0 110.345 176.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -23.1 61.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.645 0.378 . . . . 0.0 111.303 172.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -99.2 -25.89 14.37 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' ' 33' ' ' ASP . 2.1 mm? -104.18 53.73 0.74 Allowed 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.2 p -63.35 9.83 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.433 1.493 . . . . 0.0 114.313 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 31' ' ' LEU . 21.4 m-20 -125.42 4.66 7.67 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.149 0.579 . . . . 0.0 110.709 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.09 -178.92 3.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.456 0.702 . . . . 0.0 110.815 -175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -123.61 -13.3 7.54 Favored 'General case' 0 C--O 1.23 0.051 0 C-N-CA 122.793 0.437 . . . . 0.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.513 ' C ' ' H ' ' A' ' 38' ' ' ASP . 7.7 mt 52.75 29.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.096 0.959 . . . . 0.0 111.259 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.9 t60 63.03 -18.69 0.05 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.491 1.516 . . . . 0.0 113.573 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.14 -37.41 0.07 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.92 1.288 . . . . 0.0 109.875 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.26 -38.77 2.22 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 124.056 0.836 . . . . 0.0 111.428 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.42 11.48 1.01 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.065 1.346 . . . . 0.0 110.457 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.45 15.74 6.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.979 0.511 . . . . 0.0 111.355 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.84 4.87 7.45 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 175.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.04 160.5 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.293 0.637 . . . . 0.0 109.783 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -149.66 154.7 39.01 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 123.438 0.695 . . . . 0.0 109.361 173.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -150.52 159.66 44.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.35 0.66 . . . . 0.0 109.248 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.616 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -145.41 171.13 15.06 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.706 0.802 . . . . 0.0 110.83 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -147.01 115.26 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.982 0.913 . . . . 0.0 109.01 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -79.51 147.28 32.27 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -123.0 -173.18 2.65 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.863 0.363 . . . . 0.0 110.743 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.22 -30.46 5.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.982 -0.899 . . . . 0.0 113.546 -175.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.9 m -150.86 172.28 15.89 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.601 1.201 . . . . 0.0 112.118 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.22 -30.42 70.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.32 -27.73 64.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.355 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -76.81 -37.1 56.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.156 -0.34 . . . . 0.0 110.6 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.33 -39.26 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.47 -46.75 88.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.15 0.432 . . . . 0.0 110.47 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.5 mtm -67.04 -27.62 67.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.53 62.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.271 0.487 . . . . 0.0 110.959 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.4 -17.19 58.37 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.974 0.51 . . . . 0.0 111.564 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -66.26 -9.09 29.15 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 26.9 4.03 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-O 121.451 0.643 . . . . 0.0 110.714 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.6 p30 -48.17 -5.45 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -155.13 25.24 0.42 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.042 1.292 . . . . 0.0 112.749 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -72.04 -162.15 0.09 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.826 0.822 . . . . 0.0 111.437 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.7 t -144.16 152.96 41.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.572 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.7 mtt -76.24 -11.17 59.87 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.829 0.452 . . . . 0.0 110.472 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.94 -3.66 7.41 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 119.555 -0.581 . . . . 0.0 111.991 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -149.66 -16.68 0.27 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.04 0.92 . . . . 0.0 113.009 -177.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -152.91 154.07 34.3 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 119.058 0.844 . . . . 0.0 111.805 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.95 128.09 35.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 111.74 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.2 mm -121.59 161.38 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 175.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -146.55 157.9 43.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 111.374 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -142.09 154.1 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -156.41 156.24 33.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -72.34 151.69 42.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.909 -0.494 . . . . 0.0 110.943 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.1 t -141.28 173.83 11.11 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.094 0.558 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -150.32 13.07 0.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.576 0.75 . . . . 0.0 112.002 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 79.38 -28.07 0.15 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.745 2.018 . . . . 0.0 113.274 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -67.67 -40.2 84.46 Favored 'General case' 0 CA--C 1.524 -0.037 0 CA-C-N 119.083 0.856 . . . . 0.0 110.406 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.52 -45.09 73.17 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -61.84 -43.25 99.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.273 -175.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.12 -33.11 75.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.335 0.254 . . . . 0.0 111.441 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -69.88 -55.16 10.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.77 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.14 -26.49 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 117.91 0.323 . . . . 0.0 111.745 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.83 -8.83 31.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.812 0.733 . . . . 0.0 110.795 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.4 mttt . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.592 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--O 1.226 -0.132 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.55 155.51 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.91 154.78 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 121.043 0.449 . . . . 0.0 109.971 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -89.47 157.44 18.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.66 142.84 45.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -149.67 148.35 29.18 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.96 -167.6 18.31 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.545 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.4 mt 63.38 156.08 0.12 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 125.302 1.441 . . . . 0.0 112.79 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.79 69.57 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.903 3.735 . . . . 0.0 112.128 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 47.81 24.94 0.64 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.589 1.555 . . . . 0.0 113.623 176.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -151.13 146.52 26.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.801 -0.562 . . . . 0.0 110.52 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 t -166.93 178.79 5.6 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.95 0.9 . . . . 0.0 108.895 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.8 p -146.5 163.48 35.58 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.92 0.488 . . . . 0.0 109.715 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -68.47 -19.45 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.169 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.52 -27.86 27.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.653 0.206 . . . . 0.0 111.27 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.86 -34.42 39.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.982 0.355 . . . . 0.0 110.055 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -72.91 -37.72 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 117.749 0.25 . . . . 0.0 110.802 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.91 -25.47 61.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.605 0.639 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -28.27 65.09 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.591 0.357 . . . . 0.0 110.975 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HB2' ' HE2' ' A' ' 78' ' ' MET . 74.9 t80 -86.98 -19.31 28.91 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HZ1' ' A' ' 73' ' ' LYS . 8.0 mp -102.85 63.67 0.84 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.822 0.849 . . . . 0.0 109.075 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 m -53.75 146.81 12.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.908 0.483 . . . . 0.0 110.824 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 59.11 -3.88 0.08 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.977 1.711 . . . . 0.0 114.482 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.7 m -81.95 -177.76 6.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 119.076 0.853 . . . . 0.0 110.435 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m -139.88 138.41 35.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.3 mp -99.69 43.29 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 109.76 -173.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.9 t60 62.33 -27.98 0.07 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.151 1.78 . . . . 0.0 114.221 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.13 -25.31 0.09 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.378 1.471 . . . . 0.0 110.673 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.67 126.91 0.36 Allowed Glycine 0 C--N 1.338 0.65 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.63 12.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.868 0.867 . . . . 0.0 112.99 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.35 16.77 2.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.338 1.055 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.38 6.92 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -78.75 159.0 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 117.425 0.612 . . . . 0.0 109.871 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -153.89 161.95 41.61 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.587 0.755 . . . . 0.0 109.797 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.06 170.33 18.62 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.227 1.011 . . . . 0.0 109.349 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.42 HD13 ' CE2' ' A' ' 58' ' ' PHE . 36.6 mt . . . . . 0 CA--C 1.529 0.146 0 CA-C-N 118.004 0.366 . . . . 0.0 110.554 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.434 ' CD2' ' HG3' ' A' ' 93' ' ' MET . 96.6 m-85 -140.87 166.23 25.35 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-O 121.115 0.483 . . . . 0.0 110.454 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -144.83 112.72 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.29 146.77 45.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.77 -174.71 3.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.454 0.57 . . . . 0.0 110.668 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.33 -22.96 7.19 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.09 -0.839 . . . . 0.0 113.809 -172.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -148.71 164.51 34.15 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 118.521 1.16 . . . . 0.0 111.03 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -59.0 -32.98 70.19 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.93 -25.47 66.37 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 122.046 -0.409 . . . . 0.0 111.36 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.62 -40.15 50.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.68 -39.02 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -56.44 -51.04 69.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.7 mtm -64.75 -28.22 69.43 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.48 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -74.18 -29.09 61.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.063 -0.398 . . . . 0.0 111.548 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -79.49 -14.41 58.91 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.722 0.409 . . . . 0.0 111.858 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.49 -10.39 57.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -130.75 33.06 4.28 Favored 'General case' 0 N--CA 1.458 -0.044 0 CA-C-N 118.703 0.683 . . . . 0.0 111.209 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.56 -7.29 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.97 24.04 0.38 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 120.08 1.309 . . . . 0.0 112.712 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.9 -158.77 0.07 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.531 0.681 . . . . 0.0 111.511 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -143.48 149.06 37.01 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.141 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.402 ' HE2' ' HB2' ' A' ' 30' ' ' PHE . 64.7 mtt -73.24 -12.42 60.86 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.06 -13.46 4.97 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -145.33 -6.44 0.64 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -156.56 148.1 22.56 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.401 1.001 . . . . 0.0 112.275 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.18 128.55 36.31 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.226 2.21 . . . . 0.0 111.028 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.5 mm -120.97 163.72 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -147.66 154.5 40.69 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.855 0.462 . . . . 0.0 110.106 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -145.8 156.81 12.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -157.59 165.45 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -82.1 151.56 26.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.582 0.23 . . . . 0.0 110.431 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -149.14 176.89 10.1 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.815 0.446 . . . . 0.0 110.663 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -148.04 12.9 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 111.705 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 78.82 -27.91 0.16 Allowed 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 125.49 1.516 . . . . 0.0 113.778 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.2 m -68.82 -39.02 80.24 Favored 'General case' 0 C--N 1.335 -0.023 0 CA-C-N 118.731 0.696 . . . . 0.0 109.878 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.7 -38.11 80.03 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.434 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 62.0 ttp -56.6 -46.76 80.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 -30.14 70.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.788 0.435 . . . . 0.0 111.88 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -73.33 -21.56 60.52 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.1 -12.71 10.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.116 0.416 . . . . 0.0 111.787 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.39 -5.4 36.19 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.196 -0.94 . . . . 0.0 111.533 173.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm . . . . . 0 C--N 1.341 0.2 0 C-N-CA 122.878 0.471 . . . . 0.0 112.259 -178.484 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 2.9 m-30 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 121.42 0.629 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.98 148.72 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.76 157.46 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 CA-C-O 121.221 0.534 . . . . 0.0 111.623 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -88.4 157.92 18.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.47 141.07 29.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -155.1 152.02 29.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.73 -177.29 20.28 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 112.101 -0.399 . . . . 0.0 112.101 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 19.6 mt 59.21 167.8 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 124.462 1.105 . . . . 0.0 112.269 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 18.9 Cg_endo -54.34 143.37 65.75 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 121.672 1.581 . . . . 0.0 108.243 168.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.64 67.36 0.77 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.299 0.571 . . . . 0.0 112.154 -174.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -155.56 17.67 0.39 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.133 1.373 . . . . 0.0 110.304 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.64 170.81 1.31 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.927 1.291 . . . . 0.0 112.306 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -143.15 168.65 19.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.402 0.681 . . . . 0.0 111.109 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.402 ' CG1' HG12 ' A' ' 43' ' ' VAL . 1.9 m -64.98 -19.26 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 123.289 0.636 . . . . 0.0 112.614 -174.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.89 -28.29 30.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 111.159 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.99 -37.47 47.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.075 0.398 . . . . 0.0 109.977 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.13 -42.37 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 119.351 -0.357 . . . . 0.0 111.081 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.7 -21.03 57.95 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.096 0.862 . . . . 0.0 111.28 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.96 65.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.321 0.248 . . . . 0.0 111.033 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -84.9 -33.84 22.68 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.38 51.96 2.37 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 7.4 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 114.891 -174.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -122.73 0.66 9.31 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-N 118.374 0.534 . . . . 0.0 110.454 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.9 m -111.91 -174.76 2.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.886 0.874 . . . . 0.0 110.799 -172.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.6 m -139.63 132.51 29.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -82.74 141.03 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -49.94 -35.36 23.81 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -150.67 1.7 0.44 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.017 0.527 . . . . 0.0 111.773 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 95.74 -133.34 11.44 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -175.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 1.94 0.63 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.917 0.487 . . . . 0.0 112.182 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -110.21 17.3 21.09 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.401 1.081 . . . . 0.0 110.409 176.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.87 27.74 3.15 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.402 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.0 p -118.44 161.81 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.144 0.578 . . . . 0.0 110.152 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -150.98 158.8 44.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.509 0.724 . . . . 0.0 109.474 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -147.61 143.81 27.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mm . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.667 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.709 0.766 . . . . 0.0 112.703 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.24 159.47 42.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.889 1.276 . . . . 0.0 107.597 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -142.08 117.7 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.38 148.48 29.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.3 mt -127.02 -173.58 2.93 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.176 0.512 . . . . 0.0 111.293 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.43 -32.9 6.42 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.507 -175.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -151.93 169.09 23.15 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.447 1.124 . . . . 0.0 111.894 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.515 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 39.1 tp10 -60.92 -27.05 67.92 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.031 0.532 . . . . 0.0 110.672 176.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.65 -27.59 64.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.29 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -76.62 -36.42 57.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.386 0.274 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -69.4 -39.72 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.7 -45.24 94.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.396 0.544 . . . . 0.0 110.51 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 48.8 mtm -68.08 -25.18 65.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.34 -28.79 63.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.203 0.456 . . . . 0.0 111.113 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.12 -14.6 57.53 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.406 0.682 . . . . 0.0 112.076 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.16 -4.38 13.62 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 26.71 3.22 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 124.052 0.941 . . . . 0.0 109.618 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -48.76 -14.34 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -157.33 15.53 0.26 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 119.902 1.228 . . . . 0.0 113.336 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -78.83 -161.08 0.26 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.963 -0.461 . . . . 0.0 110.257 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.0 t -130.98 154.78 47.8 Favored 'General case' 0 N--CA 1.458 -0.054 0 O-C-N 121.903 -0.498 . . . . 0.0 112.011 -171.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.68 -17.69 64.98 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.996 0.518 . . . . 0.0 110.129 174.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.67 -5.68 5.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -151.31 -11.66 0.21 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -155.53 147.72 23.63 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.234 0.924 . . . . 0.0 112.136 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.83 131.38 46.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.372 2.269 . . . . 0.0 111.411 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 mm -122.43 167.37 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -145.8 147.07 31.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.862 0.465 . . . . 0.0 109.921 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.57 153.71 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.113 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -156.8 156.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.55 152.96 37.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -140.49 179.22 6.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.56 . . . . 0.0 110.648 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -144.19 12.56 1.59 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.493 0.717 . . . . 0.0 110.898 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 74.35 -26.63 0.19 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.299 1.439 . . . . 0.0 113.66 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -70.18 -38.52 75.39 Favored 'General case' 0 C--N 1.335 -0.033 0 CA-C-N 118.54 0.609 . . . . 0.0 109.954 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.8 -38.7 76.72 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.72 -40.87 89.46 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -70.75 -28.36 64.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -74.35 -60.5 2.24 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.69 -24.72 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.159 0.436 . . . . 0.0 111.722 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.22 -4.9 23.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.361 0.528 . . . . 0.0 111.048 175.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 CA--C 1.531 0.227 0 C-N-CA 123.779 0.832 . . . . 0.0 112.161 -175.701 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.8 t -121.87 151.12 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.58 168.92 19.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -103.16 159.2 15.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.549 0.74 . . . . 0.0 109.168 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.1 138.71 33.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -155.35 149.25 25.51 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.08 -165.62 24.27 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 121.537 -0.364 . . . . 0.0 112.492 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.9 mt 59.69 148.36 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 C-N-CA 125.589 1.555 . . . . 0.0 114.177 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.35 98.52 0.33 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 124.366 3.378 . . . . 0.0 112.096 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 48.69 9.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.374 1.87 . . . . 0.0 115.971 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -156.04 155.58 32.91 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 120.302 1.41 . . . . 0.0 113.036 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.3 t -166.38 165.03 17.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.057 1.343 . . . . 0.0 108.07 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -144.84 162.51 36.62 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.07 -21.12 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -80.71 -24.32 38.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.777 0.262 . . . . 0.0 111.49 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -84.13 -33.97 24.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.003 0.365 . . . . 0.0 110.34 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.31 -36.77 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 O-C-N 122.374 -0.204 . . . . 0.0 110.777 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.13 -27.53 62.68 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.028 0.376 . . . . 0.0 110.043 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.44 63.87 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.864 0.466 . . . . 0.0 111.625 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -88.23 -22.12 24.14 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 8.2 mp -102.99 60.3 0.78 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m -57.93 5.65 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.258 1.823 . . . . 0.0 115.656 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -137.19 6.97 2.86 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.982 0.81 . . . . 0.0 111.403 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 67.5 m -113.67 -179.26 3.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.112 0.565 . . . . 0.0 111.251 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 m -136.94 123.24 20.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.545 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.1 mp -83.39 41.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 124.954 1.302 . . . . 0.0 109.957 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.1 t60 60.16 -18.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.776 1.63 . . . . 0.0 113.66 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.6 m-20 -155.41 -37.41 0.09 Allowed 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.839 1.656 . . . . 0.0 109.067 176.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.24 1.38 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 124.208 0.908 . . . . 0.0 111.247 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.7 12.2 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.049 1.34 . . . . 0.0 110.503 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.57 18.66 7.43 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.115 0.566 . . . . 0.0 111.084 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.28 6.0 4.62 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.46 161.21 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.285 0.634 . . . . 0.0 109.93 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -154.72 156.0 35.59 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.133 0.573 . . . . 0.0 110.456 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -148.18 164.3 34.36 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mm . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 122.04 0.924 . . . . 0.0 111.482 -176.806 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.252 0.548 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CG ' ' HG3' ' A' ' 93' ' ' MET . 97.2 m-85 -141.7 161.55 37.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.7 t -144.71 104.69 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.15 147.33 46.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.96 -175.58 3.39 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.189 0.519 . . . . 0.0 111.547 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.73 -33.75 6.91 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.425 -174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -151.77 170.07 20.67 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.225 1.013 . . . . 0.0 111.783 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.16 -28.11 67.65 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.46 0.704 . . . . 0.0 111.025 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.26 -28.72 64.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.7 -0.625 . . . . 0.0 110.454 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -74.97 -38.09 61.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.2 -0.313 . . . . 0.0 110.611 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -39.89 82.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.26 -45.12 95.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.142 0.428 . . . . 0.0 110.335 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.0 mtm -67.13 -28.72 68.38 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.021 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.28 -14.32 58.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.011 0.524 . . . . 0.0 111.594 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.52 -7.58 33.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 27.61 4.18 Favored 'General case' 0 C--N 1.337 0.045 0 CA-C-N 118.586 0.63 . . . . 0.0 110.597 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -46.38 -10.37 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 -177.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -151.46 18.95 0.73 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 120.397 1.453 . . . . 0.0 112.072 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -71.7 -161.51 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.745 0.783 . . . . 0.0 112.377 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 t -143.16 149.03 37.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.086 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.6 mtt -73.11 -11.52 60.57 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 122.496 0.319 . . . . 0.0 110.356 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.77 -13.11 3.41 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.608 -0.551 . . . . 0.0 111.77 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -153.48 -3.85 0.2 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 117.912 0.856 . . . . 0.0 113.027 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -150.86 144.72 25.2 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.265 0.938 . . . . 0.0 112.412 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -64.68 125.44 24.76 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 127.528 2.331 . . . . 0.0 110.999 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.7 mm -121.06 161.21 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -148.09 154.44 40.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.093 0.473 . . . . 0.0 111.1 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.37 145.58 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -146.67 152.24 38.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -75.09 145.81 41.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.966 0.412 . . . . 0.0 111.391 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -138.41 -174.26 3.76 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.021 0.529 . . . . 0.0 110.402 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -155.35 16.53 0.4 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.612 0.765 . . . . 0.0 111.676 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 76.52 -28.82 0.18 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.341 1.456 . . . . 0.0 113.176 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -68.24 -38.73 82.15 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.4 0.545 . . . . 0.0 109.838 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -70.7 -33.74 71.21 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.411 ' HG3' ' CG ' ' A' ' 58' ' ' PHE . 63.0 ttp -59.58 -49.76 76.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.39 -28.25 68.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.843 0.457 . . . . 0.0 111.503 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.73 -19.44 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.4 0.68 . . . . 0.0 112.184 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 p -121.35 -24.62 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 118.004 0.365 . . . . 0.0 111.723 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.79 -3.37 21.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.905 0.775 . . . . 0.0 111.485 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 123.156 0.582 . . . . 0.0 112.436 -176.392 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 3.8 m-30 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.085 0.469 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.77 149.39 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -138.76 163.31 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 111.353 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -99.02 159.61 14.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.33 139.77 35.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -149.85 149.81 31.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.33 -178.33 25.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.519 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.1 mt 61.33 162.02 0.11 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 125.809 1.644 . . . . 0.0 114.135 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.34 79.16 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.458 1 C-N-CA 126.478 4.785 . . . . 0.0 114.54 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 6.1 m95 53.69 0.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -151.97 161.72 42.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 120.831 1.651 . . . . 0.0 112.808 -176.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -160.2 -177.35 6.21 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.873 1.269 . . . . 0.0 108.617 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.3 p -143.35 165.43 27.53 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.398 0.545 . . . . 0.0 111.025 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.33 -19.53 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.12 -29.32 24.93 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.109 0.413 . . . . 0.0 111.195 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -79.06 -32.61 44.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.066 0.394 . . . . 0.0 110.227 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -74.88 -37.03 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.464 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -72.17 -26.88 62.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.732 0.696 . . . . 0.0 110.579 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -28.69 62.15 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.271 0.229 . . . . 0.0 110.589 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -84.44 -28.17 27.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.852 0.461 . . . . 0.0 112.09 -174.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -89.28 60.14 5.17 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.2 p -50.42 146.42 5.38 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.134 0.573 . . . . 0.0 110.83 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.33 -10.08 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.179 1.792 . . . . 0.0 114.425 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.78 178.9 5.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 119.52 1.055 . . . . 0.0 110.08 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -140.55 109.26 5.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -69.75 141.83 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -46.55 -36.19 6.55 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.216 1.006 . . . . 0.0 113.412 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -153.16 9.79 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.324 0.65 . . . . 0.0 111.172 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 75.97 -121.2 6.17 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 -177.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.14 3.14 0.46 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.063 0.945 . . . . 0.0 112.546 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -126.42 15.15 7.71 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.757 0.823 . . . . 0.0 110.842 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.71 -2.42 3.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.23 163.79 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -150.58 161.04 43.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.294 172.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -147.33 172.6 13.63 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.733 0.813 . . . . 0.0 109.184 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.3 mt . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.216 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.404 0.621 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -138.39 163.8 30.96 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.169 0.988 . . . . 0.0 109.44 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.4 t -145.54 119.27 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -81.66 150.75 27.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.7 -171.77 2.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.909 0.385 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.96 -32.05 5.46 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.478 -175.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -152.37 170.15 20.79 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.414 1.107 . . . . 0.0 111.881 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 34.6 tt0 -59.78 -29.22 68.06 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.344 0.657 . . . . 0.0 110.955 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.25 -26.48 63.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.784 -0.573 . . . . 0.0 110.617 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -78.35 -37.62 43.92 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.492 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -39.45 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.76 -46.64 88.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 110.128 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.67 -28.9 68.82 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.33 62.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.349 0.522 . . . . 0.0 111.083 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 mt -84.69 -14.75 47.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.907 0.483 . . . . 0.0 111.467 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.61 -7.25 37.13 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 25.12 4.34 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-O 121.534 0.683 . . . . 0.0 110.445 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -45.11 -12.81 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -148.67 25.13 0.96 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.488 1.494 . . . . 0.0 112.646 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.36 -168.77 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.769 0.713 . . . . 0.0 112.118 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.0 p -141.03 1.22 1.63 Allowed 'General case' 0 C--N 1.335 -0.044 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 57.6 mtt 53.08 10.93 0.19 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.696 0.68 . . . . 0.0 111.433 -171.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.76 6.07 88.46 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.016 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -144.1 -11.0 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.749 1.275 . . . . 0.0 114.269 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.507 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 12.4 tpt180 -154.44 -122.67 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.253 0.933 . . . . 0.0 110.889 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.507 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.4 t80 -162.88 117.51 1.73 Allowed 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.7 mm -121.57 157.18 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -144.65 157.33 44.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.189 0.519 . . . . 0.0 111.438 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.8 153.88 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -153.17 149.58 28.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -73.25 149.72 42.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.112 -0.368 . . . . 0.0 110.113 -175.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 t -140.08 -171.36 3.17 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 3.3 p80 -141.84 -44.1 0.35 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.084 -175.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 133.04 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 128.588 2.755 . . . . 0.0 112.795 171.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.9 m -69.0 -35.74 77.02 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.311 0.505 . . . . 0.0 110.26 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.72 -37.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.1 ttp -63.13 -35.46 80.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.569 0.348 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.82 -27.46 60.3 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.245 -0.284 . . . . 0.0 111.388 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -77.41 -68.38 0.62 Allowed 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.93 -18.85 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -19.03 57.31 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.027 0.531 . . . . 0.0 111.364 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm . . . . . 0 CA--C 1.531 0.231 0 C-N-CA 124.142 0.977 . . . . 0.0 112.238 -178.754 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.2 m-85 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.34 0.591 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.55 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.95 156.57 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.35 0.595 . . . . 0.0 111.506 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -87.25 158.6 19.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.65 133.98 29.77 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -145.45 145.71 31.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.59 -174.09 22.21 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.194 -0.527 . . . . 0.0 114.201 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt 62.91 165.83 0.11 Allowed Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 125.164 1.386 . . . . 0.0 113.394 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.6 60.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.609 1 C-N-CA 127.384 5.389 . . . . 0.0 116.68 174.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.1 m95 58.56 9.24 1.04 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.28 1.432 . . . . 0.0 114.328 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.5 p -158.91 158.78 34.03 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.309 0.504 . . . . 0.0 111.294 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -163.83 -174.84 3.81 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.725 1.21 . . . . 0.0 109.433 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -141.5 167.25 22.62 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.688 0.395 . . . . 0.0 110.95 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.77 -20.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.066 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.17 -26.47 36.0 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.086 0.403 . . . . 0.0 111.683 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -82.62 -35.89 26.6 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.197 0.453 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.98 -34.81 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.198 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.78 -25.68 49.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.468 0.576 . . . . 0.0 110.914 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -25.0 64.24 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 172.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -93.59 -21.4 19.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.125 0.57 . . . . 0.0 111.741 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -109.41 52.38 0.72 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.4 p -62.77 7.8 0.07 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.693 1.597 . . . . 0.0 114.954 -173.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -129.79 -1.22 4.8 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.31 0.504 . . . . 0.0 111.125 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.87 -177.19 5.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.527 0.731 . . . . 0.0 110.728 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -123.45 -16.05 6.94 Favored 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 123.217 0.607 . . . . 0.0 111.413 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.478 ' C ' ' H ' ' A' ' 38' ' ' ASP . 7.8 mt 54.07 26.04 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.551 1.14 . . . . 0.0 111.778 173.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 61.93 -19.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.606 1.562 . . . . 0.0 114.209 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.9 m-20 -155.15 -28.13 0.11 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.491 1.116 . . . . 0.0 111.435 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 -1.39 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 117.677 0.217 . . . . 0.0 113.283 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' A' ' 41' ' ' ALA . . . -173.33 3.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.064 1.346 . . . . 0.0 110.88 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' A' ' 40' ' ' ALA . . . -134.66 16.4 3.62 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.16 0.73 14.62 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 175.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.61 156.01 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.985 0.914 . . . . 0.0 109.718 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -151.27 151.22 31.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.193 0.597 . . . . 0.0 109.542 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -147.5 158.8 44.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 109.596 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 -179.533 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -148.35 169.8 19.36 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.758 0.823 . . . . 0.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.3 t -147.1 116.65 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -79.14 150.83 31.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mt -129.77 -172.73 2.84 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.568 0.223 . . . . 0.0 110.69 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.66 -22.54 7.65 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.01 -0.884 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -158.56 173.4 16.67 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 119.045 1.422 . . . . 0.0 111.958 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.3 tt0 -58.71 -31.2 68.04 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.804 0.842 . . . . 0.0 110.438 174.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.0 -30.39 69.63 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 121.943 -0.473 . . . . 0.0 110.693 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.26 -39.38 54.53 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.303 -0.248 . . . . 0.0 110.701 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.6 -39.55 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtm -68.85 -28.69 66.95 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -27.74 62.36 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.392 0.542 . . . . 0.0 110.93 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -80.37 -15.48 56.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 122.836 0.455 . . . . 0.0 111.715 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.47 -8.85 36.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 24.97 3.76 Favored 'General case' 0 C--O 1.228 -0.079 0 CA-C-O 121.324 0.583 . . . . 0.0 110.713 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -48.09 -5.63 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -152.41 20.42 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.998 1.272 . . . . 0.0 113.103 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -70.76 -162.6 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 112.118 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 t -144.19 179.89 6.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.552 0.741 . . . . 0.0 110.997 -174.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtt -125.51 -7.51 6.9 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.548 0.739 . . . . 0.0 111.348 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.62 -4.03 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.343 -0.698 . . . . 0.0 113.722 175.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -147.33 -20.92 0.39 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.399 1.099 . . . . 0.0 112.099 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -158.73 153.72 25.13 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 0.4 OUTLIER -90.17 159.94 16.49 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -172.543 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mm -126.64 162.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -175.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -147.46 159.09 44.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.442 0.639 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.11 152.32 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -154.92 150.07 27.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -71.81 149.69 45.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.397 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.3 t -141.21 -167.47 2.4 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.486 0.315 . . . . 0.0 111.032 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 3.2 p80 -145.29 -39.19 0.25 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.697 -173.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 126.38 -22.93 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.664 2.786 . . . . 0.0 112.299 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.8 m -69.68 -39.26 77.07 Favored 'General case' 0 C--O 1.23 0.039 0 CA-C-N 118.292 0.497 . . . . 0.0 110.581 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.4 -38.61 78.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -60.0 -46.58 89.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.96 -28.77 68.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -70.51 -57.16 5.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.742 0.417 . . . . 0.0 111.883 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.92 -23.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 119.611 -0.233 . . . . 0.0 111.319 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -8.01 13.37 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.297 0.499 . . . . 0.0 110.923 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 124.175 0.99 . . . . 0.0 111.412 -177.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.185 0.516 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.78 153.42 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.86 165.42 26.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.184 0.516 . . . . 0.0 110.696 176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -102.54 157.82 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' C ' ' HD2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -138.71 140.68 38.83 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.67 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.442 ' HD2' ' C ' ' A' ' 15' ' ' LEU . 1.2 mpt_? -145.17 147.57 32.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.83 -173.84 22.97 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.718 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.8 mt 63.43 162.65 0.12 Allowed Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.672 1.589 . . . . 0.0 113.797 177.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 63.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.525 1 C-N-CA 127.117 5.211 . . . . 0.0 116.581 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 55.58 8.29 0.3 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 113.653 174.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -160.7 156.29 25.22 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.375 0.67 . . . . 0.0 109.924 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -161.28 -179.15 7.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 109.981 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -139.11 162.92 33.76 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.018 0.527 . . . . 0.0 110.299 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -67.18 -16.81 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.75 -27.02 27.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.042 0.383 . . . . 0.0 111.593 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -80.48 -34.85 35.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.51 -39.42 70.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.773 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -71.75 -24.6 61.8 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.063 0.847 . . . . 0.0 110.866 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -25.44 63.74 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.445 0.298 . . . . 0.0 110.982 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -92.91 -25.87 17.86 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.467 0.307 . . . . 0.0 111.724 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 33' ' ' ASP . 2.0 mm? -106.44 50.43 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -64.79 20.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.217 1.407 . . . . 0.0 113.368 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 31' ' ' LEU . 24.6 m-20 -132.59 9.57 4.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.478 0.711 . . . . 0.0 110.857 -178.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.9 p -122.35 -166.14 1.37 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.896 0.478 . . . . 0.0 111.201 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.94 4.43 5.36 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' C ' ' H ' ' A' ' 38' ' ' ASP . 2.7 mp 41.85 34.64 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 125.217 1.407 . . . . 0.0 111.751 -175.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.4 t60 62.17 -26.92 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.302 1.841 . . . . 0.0 114.25 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.5 m-20 -159.3 -22.93 0.07 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.298 1.439 . . . . 0.0 111.182 175.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.68 125.83 0.24 Allowed Glycine 0 C--N 1.338 0.661 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.8 11.91 0.16 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.821 0.848 . . . . 0.0 112.908 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 16.31 1.8 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.037 0.935 . . . . 0.0 111.392 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.09 4.63 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.82 160.54 5.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -151.24 156.77 41.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.57 0.348 . . . . 0.0 110.353 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -145.98 170.61 16.28 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.054 0.942 . . . . 0.0 108.684 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 HD11 ' CE2' ' A' ' 58' ' ' PHE . 45.6 mt . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.854 0.359 . . . . 0.0 111.806 -173.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.457 ' CE2' HD11 ' A' ' 46' ' ' ILE . 98.1 m-85 -139.56 168.57 19.52 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.792 1.237 . . . . 0.0 109.144 174.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -146.36 109.81 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -74.46 152.56 39.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.68 -176.56 4.08 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.53 -26.68 7.13 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.787 -1.007 . . . . 0.0 114.308 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.4 m -150.4 167.93 25.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.859 1.33 . . . . 0.0 112.138 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.4 tt0 -59.28 -31.46 69.13 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.891 0.476 . . . . 0.0 110.326 175.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.55 -26.31 66.24 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.444 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -77.08 -41.19 43.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.168 -0.332 . . . . 0.0 110.269 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.37 -40.27 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.06 -44.76 95.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 58.9 mtm -70.35 -26.26 63.65 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.93 -29.71 64.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.582 0.628 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.76 -16.27 55.9 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.308 0.643 . . . . 0.0 111.577 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.38 -8.13 30.41 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 25.96 4.56 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 118.489 0.586 . . . . 0.0 110.458 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.411 ' HA ' ' HB ' ' A' ' 85' ' ' VAL . 24.2 p-10 -45.21 -17.2 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -140.85 21.85 2.3 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.71 1.595 . . . . 0.0 112.517 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.69 -168.2 0.17 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.679 0.752 . . . . 0.0 112.392 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.4 m -139.76 179.43 6.59 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.884 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.5 mtt -131.38 -31.07 1.65 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 123.934 0.894 . . . . 0.0 110.178 175.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 81' ' ' ARG . . . 139.29 139.77 3.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.7 m80 51.97 -1.27 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.37 1.468 . . . . 0.0 114.598 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.502 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 8.8 tpt180 -162.32 172.38 15.75 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.007 0.923 . . . . 0.0 109.325 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.502 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -134.81 167.05 21.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -172.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mm -128.76 161.42 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.518 0.727 . . . . 0.0 110.093 -167.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -143.41 147.58 34.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.41 0.684 . . . . 0.0 110.449 -176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.411 ' HB ' ' HA ' ' A' ' 74' ' ' ASP . 3.3 t -139.66 154.25 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.364 0.665 . . . . 0.0 110.244 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -152.52 155.2 36.99 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.34 143.84 31.91 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 121.922 -0.486 . . . . 0.0 111.643 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.7 t -132.63 -177.39 4.46 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.916 -0.49 . . . . 0.0 111.818 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -146.09 6.4 1.01 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.543 0.737 . . . . 0.0 112.092 -174.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 81.14 -28.33 0.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.316 1.447 . . . . 0.0 113.006 171.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.5 m -69.64 -40.0 76.78 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.488 0.586 . . . . 0.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.06 -41.63 86.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.429 ' HG2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 tmm? -58.78 -45.96 88.64 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.377 0.423 . . . . 0.0 110.031 -177.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.83 -28.92 68.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -72.82 -56.23 5.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.42 -22.3 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 122.102 -0.374 . . . . 0.0 111.258 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.71 -5.1 14.4 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.213 0.461 . . . . 0.0 110.94 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.734 0.814 . . . . 0.0 112.338 -175.242 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.88 150.14 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.97 173.41 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 122.102 0.953 . . . . 0.0 110.703 173.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -123.08 139.92 53.57 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.473 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 HD12 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -124.21 144.38 49.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.992 0.517 . . . . 0.0 110.503 -169.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' H ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -151.55 92.68 1.79 Allowed 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 165.77 35.72 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.294 -1.432 . . . . 0.0 113.808 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 17.2 mt 69.42 164.45 0.13 Allowed Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.737 1.615 . . . . 0.0 112.49 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 93.6 Cg_exo -47.87 -167.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 1 C-N-CA 126.71 4.94 . . . . 0.0 115.423 172.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.33 1.01 0.09 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 t -151.06 159.9 44.24 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.893 0.769 . . . . 0.0 111.151 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -158.91 171.37 20.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.148 0.979 . . . . 0.0 109.23 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -143.14 160.46 40.38 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.048 0.539 . . . . 0.0 110.303 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.6 -16.44 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.72 -26.58 29.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.884 0.311 . . . . 0.0 111.596 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.99 -39.27 30.4 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -67.3 -39.59 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -71.41 -26.08 62.61 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.282 0.947 . . . . 0.0 111.447 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -23.83 62.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.659 0.208 . . . . 0.0 110.739 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -88.51 -34.93 17.25 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -83.93 54.56 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 34' ' ' CYS . 22.7 t -56.61 154.09 9.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.482 177.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 59.18 -7.98 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.479 1.912 . . . . 0.0 114.115 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' H ' ' C ' ' A' ' 32' ' ' SER . 63.3 m -86.67 -176.4 5.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.732 0.697 . . . . 0.0 110.379 178.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.1 m -131.32 152.28 50.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.2 mt -122.27 32.52 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 121.56 0.695 . . . . 0.0 110.278 -165.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 t60 63.62 -41.77 0.22 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 113.98 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -151.61 -7.7 0.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.41 1.084 . . . . 0.0 111.75 172.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 96.56 -121.67 7.09 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 4.42 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.893 0.877 . . . . 0.0 112.384 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -122.85 19.34 10.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.352 1.061 . . . . 0.0 110.82 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.18 0.05 4.73 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.05 156.6 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 117.311 0.555 . . . . 0.0 109.559 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -152.65 160.38 43.17 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.599 0.759 . . . . 0.0 109.301 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.03 170.14 16.49 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.18 0.592 . . . . 0.0 109.708 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--N 1.339 0.124 0 CA-C-O 121.33 0.586 . . . . 0.0 111.359 -171.433 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.437 0.637 . . . . 0.0 112.39 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.501 ' CD2' ' HG3' ' A' ' 93' ' ' MET . 97.4 m-85 -137.33 162.99 32.07 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.146 0.978 . . . . 0.0 108.393 172.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -145.14 110.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.73 149.52 39.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 mt -125.17 -163.97 1.24 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.411 0.284 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -120.36 -20.62 3.56 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.99 -175.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -150.25 168.12 24.97 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 118.887 1.344 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -32.75 71.61 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.306 0.643 . . . . 0.0 109.912 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.78 -29.85 69.91 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.717 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.65 -36.99 57.03 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -70.74 -38.46 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.5 -47.43 84.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.404 0.547 . . . . 0.0 110.195 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.3 mtm -65.71 -28.99 69.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.28 -26.51 61.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.127 0.422 . . . . 0.0 111.632 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.1 mt -82.06 -14.57 55.67 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.314 0.646 . . . . 0.0 111.951 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -68.2 -1.14 5.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -130.38 22.78 5.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 123.305 0.642 . . . . 0.0 110.523 -178.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -48.2 -9.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 28.5 ptt-85 -162.29 21.66 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.227 1.376 . . . . 0.0 113.52 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -72.67 -164.24 0.15 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.321 0.51 . . . . 0.0 110.783 174.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 79' ' ' GLY . 78.6 p -119.76 -0.14 10.78 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -163.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 50.3 ttm 64.11 -24.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.937 1.295 . . . . 0.0 112.002 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 136.92 -20.64 3.41 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.775 0.702 . . . . 0.0 111.886 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -149.14 3.27 0.59 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.616 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 9.9 tpt180 -147.58 -132.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.054 0.843 . . . . 0.0 110.697 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.616 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.6 t80 -159.51 123.56 3.83 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 6.1 mm -122.26 168.28 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -148.25 151.49 35.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -145.43 150.33 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.88 161.13 41.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 171.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -68.27 155.91 38.76 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t -135.53 -179.95 5.96 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -154.09 18.96 0.5 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.939 -0.476 . . . . 0.0 111.827 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.6 ttm105 70.23 -35.49 0.32 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.575 1.55 . . . . 0.0 113.595 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.9 m -64.28 -37.73 88.54 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 119.188 0.904 . . . . 0.0 110.133 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -70.13 -41.22 74.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.501 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 60.3 ttp -60.55 -47.58 85.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.49 -28.64 69.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.352 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -79.76 -21.62 44.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.43 -10.66 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 118.323 0.511 . . . . 0.0 111.993 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -11.32 13.68 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.754 -0.591 . . . . 0.0 110.546 172.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm . . . . . 0 CA--C 1.533 0.319 0 C-N-CA 124.661 1.184 . . . . 0.0 111.384 174.44 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.525 0.202 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -144.63 15.56 1.6 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.515 0.726 . . . . 0.0 110.738 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.67 17.98 1.83 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.925 0.89 . . . . 0.0 110.922 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.24 -178.36 34.16 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.97 165.39 31.36 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.911 3.074 . . . . 0.0 111.659 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -147.25 176.19 10.18 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.186 0.994 . . . . 0.0 110.217 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.64 13.08 0.27 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.32 178.34 45.31 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.37 16.02 1.48 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.302 0.641 . . . . 0.0 111.161 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.55 168.31 30.99 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.8 m-30 -87.85 48.32 1.63 Allowed 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.553 0.741 . . . . 0.0 109.699 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.9 150.5 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 -177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.82 157.83 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 CA-C-O 121.301 0.572 . . . . 0.0 111.4 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.34 161.15 16.5 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.059 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -140.96 147.3 38.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' H ' HD13 ' A' ' 15' ' ' LEU . 35.6 ttm180 -154.13 147.24 24.65 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.62 -163.16 21.43 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.781 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.6 mt 66.62 174.29 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 124.807 1.243 . . . . 0.0 110.545 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -51.61 177.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.902 3.068 . . . . 0.0 112.873 173.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.567 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 3.4 m95 -54.2 -18.17 3.58 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.009 -0.432 . . . . 0.0 112.068 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -147.62 160.15 42.98 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.592 0.757 . . . . 0.0 110.186 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 p -155.47 -174.27 4.9 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.086 0.954 . . . . 0.0 109.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.19 164.28 28.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.035 0.445 . . . . 0.0 110.786 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -17.08 21.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 116.368 -0.378 . . . . 0.0 112.007 -175.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.78 -25.66 35.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 117.806 0.276 . . . . 0.0 111.276 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.43 -39.21 32.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.04 -39.37 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.876 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -71.14 -26.06 62.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.951 0.796 . . . . 0.0 111.135 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -26.28 63.91 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.59 0.177 . . . . 0.0 110.911 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -83.64 -27.86 28.82 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.67 52.2 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 8.83 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.828 1.651 . . . . 0.0 114.816 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -124.79 5.08 8.11 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.1 0.56 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.6 m -126.08 -177.0 3.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.452 0.701 . . . . 0.0 111.397 -170.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.7 m -130.96 142.4 50.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -99.07 43.15 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.15 0.58 . . . . 0.0 109.684 -173.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 t60 63.1 -42.58 0.2 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.184 1.793 . . . . 0.0 113.978 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -148.58 -2.33 0.5 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.724 1.21 . . . . 0.0 110.843 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 98.29 -127.06 9.11 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 5.93 0.16 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.809 0.844 . . . . 0.0 112.201 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -119.07 16.74 13.3 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.402 1.081 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.55 3.08 2.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.61 160.08 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 117.493 0.646 . . . . 0.0 109.669 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -151.7 159.26 44.05 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.597 0.759 . . . . 0.0 109.575 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -149.23 169.95 19.59 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.603 0.761 . . . . 0.0 109.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 mt -135.09 138.4 48.93 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -157.45 -179.08 7.84 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 122.889 0.475 . . . . 0.0 110.878 -173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.0 p -139.04 165.27 27.57 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 110.914 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -63.54 -21.01 66.1 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.123 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -55.72 -32.59 63.47 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.97 30.79 1.54 Allowed Glycine 0 CA--C 1.531 1.035 0 CA-C-O 119.165 -0.797 . . . . 0.0 114.629 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -156.0 163.61 39.49 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.851 1.326 . . . . 0.0 109.698 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -73.84 153.62 39.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -71.2 -19.61 62.37 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.73 1.0 21.42 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -140.87 169.01 18.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.416 0.627 . . . . 0.0 111.542 -172.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.6 -176.67 5.14 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.225 1.01 . . . . 0.0 110.107 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -139.2 165.98 25.74 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.1 t -143.7 110.74 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -72.14 151.89 42.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -131.42 -176.76 4.13 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.4 -33.09 6.06 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.193 -0.782 . . . . 0.0 113.904 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.5 m -151.83 171.26 18.02 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.329 1.064 . . . . 0.0 111.827 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 38.9 tt0 -60.06 -28.9 68.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.295 0.638 . . . . 0.0 110.79 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.78 -28.63 65.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.838 -0.539 . . . . 0.0 110.503 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.85 -37.09 56.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.258 -0.277 . . . . 0.0 110.618 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -39.44 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.46 -46.13 91.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.261 0.482 . . . . 0.0 110.389 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.1 mtm -68.22 -25.84 65.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.29 64.77 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.338 0.517 . . . . 0.0 110.942 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 mt -79.25 -16.34 56.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 111.914 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.96 -6.85 24.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.09 28.32 3.47 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-O 121.302 0.572 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -44.82 -14.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.2 mtp-105 -148.02 21.96 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.111 1.323 . . . . 0.0 112.402 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -71.1 -166.29 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.642 0.656 . . . . 0.0 112.528 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -146.04 153.45 40.75 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.627 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.2 mtt -77.33 -24.31 50.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.6 -16.91 3.76 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.663 -0.521 . . . . 0.0 112.878 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -139.22 -5.72 1.43 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.816 0.808 . . . . 0.0 111.471 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -155.51 163.5 39.93 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.275 0.1 OUTLIER -114.57 163.83 14.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.653 0.661 . . . . 0.0 112.705 -174.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.8 mp -136.16 166.36 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -169.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -142.91 147.56 35.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.636 0.774 . . . . 0.0 110.008 -176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.27 153.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.42 ' HB2' " H2'" ' B' ' 6' ' ' ' U' . 34.3 t80 -156.98 155.96 32.17 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -75.05 153.05 38.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.81 0.338 . . . . 0.0 110.583 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -142.69 -175.69 4.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.11 0.481 . . . . 0.0 111.178 -177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -146.87 9.6 1.01 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.521 0.728 . . . . 0.0 111.53 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 74.9 -25.43 0.2 Allowed 'General case' 0 C--N 1.339 0.144 0 C-N-CA 125.476 1.51 . . . . 0.0 113.873 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.2 m -68.79 -38.96 80.35 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 118.756 0.707 . . . . 0.0 109.743 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.85 -37.5 79.16 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -58.28 -46.69 85.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -69.0 -30.02 68.34 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.456 0.302 . . . . 0.0 111.676 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -68.88 -19.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 112.801 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.0 -20.81 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 118.427 0.558 . . . . 0.0 111.62 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.82 -6.49 27.22 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.637 0.653 . . . . 0.0 111.426 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -136.89 12.19 3.12 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.514 0.726 . . . . 0.0 112.029 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -148.11 9.51 0.87 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.995 0.361 . . . . 0.0 111.853 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.9 p -58.47 152.8 17.23 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.011 -0.431 . . . . 0.0 111.231 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.87 174.38 45.9 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 C--O 1.251 1.126 0 C-N-CA 124.111 3.208 . . . . 0.0 111.085 179.876 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.51 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 N19-C1'-C2' 119.39 3.744 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.567 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.406 -3.885 1 P-O3'-C3' 124.954 4.378 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 O4'-C1'-N19 112.538 4.338 . 0.386 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 1 O4'-C1'-N19 112.89 4.69 . 0.065 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.493 " H4'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 C4'-C3'-C2' 100.835 -1.865 . 0.194 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.493 " H5'" " H4'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 O4'-C1'-N19 112.569 4.369 . 0.02 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.2 ptp -154.2 168.56 26.12 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.828 0.451 . . . . 0.0 110.477 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -145.12 167.71 22.08 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.03 0.932 . . . . 0.0 109.265 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.4 -179.89 44.51 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.26 174.29 10.99 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.547 3.498 . . . . 0.0 110.917 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -141.38 11.46 2.12 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.998 0.519 . . . . 0.0 111.855 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.96 7.13 0.38 Allowed Glycine 0 CA--C 1.527 0.821 0 O-C-N 122.003 -0.435 . . . . 0.0 112.725 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.27 179.81 45.38 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -141.56 10.68 2.06 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.19 0.495 . . . . 0.0 111.214 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.68 -7.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.353 -0.693 . . . . 0.0 114.101 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 56.08 44.46 25.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.399 1.08 . . . . 0.0 110.146 -175.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.64 151.41 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -139.68 159.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.123 0.487 . . . . 0.0 110.822 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -89.66 161.4 16.13 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.86 131.21 35.02 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -138.9 163.19 32.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -173.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.85 -141.29 15.51 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 20' ' ' TRP . 12.5 mt 71.13 160.96 0.16 Allowed Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 124.134 0.973 . . . . 0.0 109.847 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.54 30.66 0.24 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.987 3.125 . . . . 0.0 110.945 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.6 ' CH2' " O4'" ' B' ' 1' ' ' ' A' . 6.3 m0 52.43 27.83 5.3 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.067 0.947 . . . . 0.0 111.848 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.5 t -148.83 128.97 13.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.4 t -165.12 174.01 10.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.543 0.337 . . . . 0.0 110.519 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.65 162.49 33.0 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.17 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -15.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -83.88 -26.19 29.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.835 0.289 . . . . 0.0 111.614 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.06 -34.35 32.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.7 -41.56 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.614 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -67.9 -25.92 65.73 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.786 0.721 . . . . 0.0 110.594 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -29.19 65.89 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.581 0.352 . . . . 0.0 111.478 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -82.87 -26.06 31.94 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -103.4 45.39 0.96 Allowed 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -59.71 -21.06 60.12 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.22 -20.49 32.21 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 119.029 0.831 . . . . 0.0 110.761 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.3 m -85.79 -177.3 6.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.211 1.004 . . . . 0.0 111.084 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 m -138.59 111.6 7.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.487 ' H ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp -69.36 140.45 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -46.56 -34.7 5.12 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.386 1.075 . . . . 0.0 113.611 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -152.28 9.61 0.49 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.244 0.617 . . . . 0.0 111.094 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.4 -119.98 5.69 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.0 2.48 0.52 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.066 0.946 . . . . 0.0 112.628 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.19 16.24 8.41 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.719 0.808 . . . . 0.0 110.862 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.98 -0.97 4.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.2 159.36 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -152.74 160.06 43.13 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.024 0.53 . . . . 0.0 110.091 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -148.28 172.43 14.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.136 0.974 . . . . 0.0 109.073 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.402 HD13 ' CE2' ' A' ' 58' ' ' PHE . 42.5 mt -136.16 102.94 3.31 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -175.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -159.49 -174.89 4.88 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.724 0.809 . . . . 0.0 109.887 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.1 p -135.63 161.43 35.55 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 121.796 0.808 . . . . 0.0 112.075 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.54 3.36 6.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.196 1.398 . . . . 0.0 113.327 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -149.62 18.08 0.91 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.904 0.482 . . . . 0.0 111.393 -178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.52 -134.59 3.55 Favored Glycine 0 C--N 1.337 0.627 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 54' ' ' SER . 90.2 mmt-85 -143.03 177.33 8.44 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.707 0.803 . . . . 0.0 110.221 -175.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' C ' ' H ' ' A' ' 55' ' ' GLY . 27.8 tp60 -75.56 37.31 0.14 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.111 0.964 . . . . 0.0 110.109 175.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 52' ' ' ARG . 73.7 p -68.04 24.75 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.21 1.404 . . . . 0.0 112.879 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 53' ' ' GLN . . . -140.32 -164.46 9.91 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.251 -1.139 . . . . 0.0 110.251 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -112.64 -154.02 0.53 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.614 0.766 . . . . 0.0 109.916 -175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.68 175.65 12.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.666 0.386 . . . . 0.0 111.076 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.432 ' CD2' ' HG3' ' A' ' 93' ' ' MET . 87.7 m-85 -140.9 168.12 20.55 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.421 0.689 . . . . 0.0 110.517 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.2 t -146.37 118.04 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.148 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -78.34 149.34 33.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -125.85 -172.98 2.73 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.258 0.481 . . . . 0.0 111.912 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.19 -26.11 8.51 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 119.132 -0.815 . . . . 0.0 113.935 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 t -159.85 174.09 14.97 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 118.695 1.248 . . . . 0.0 111.869 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 33.7 tt0 -59.72 -30.69 68.99 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.669 0.787 . . . . 0.0 110.547 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.81 -29.1 67.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.954 -0.466 . . . . 0.0 110.443 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -77.19 -37.01 54.45 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.506 -0.283 . . . . 0.0 110.636 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.401 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -69.34 -38.77 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.289 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.34 -47.0 87.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 118.269 0.486 . . . . 0.0 110.289 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.6 mtm -66.56 -28.9 68.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.39 -29.57 65.09 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.317 0.508 . . . . 0.0 110.975 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.6 mt -80.72 -14.35 58.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.181 0.592 . . . . 0.0 111.669 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.79 -8.45 43.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 28.21 3.65 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-O 121.272 0.558 . . . . 0.0 110.356 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -47.14 -10.47 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -155.35 28.02 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.88 1.218 . . . . 0.0 112.722 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.77 -160.53 0.09 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.652 0.739 . . . . 0.0 111.584 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -144.06 148.94 35.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 110.256 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.46 -12.9 61.63 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.87 -13.84 4.42 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -154.47 4.28 0.25 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.56 0.68 . . . . 0.0 112.753 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -150.2 140.49 22.25 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.053 0.842 . . . . 0.0 111.94 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.13 116.76 10.87 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.076 1.751 . . . . 0.0 110.221 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.4 mm -113.02 159.94 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -146.4 157.07 43.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.199 0.523 . . . . 0.0 111.611 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.83 148.26 19.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -148.63 152.77 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -70.85 149.17 47.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 122.036 -0.415 . . . . 0.0 111.09 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -144.25 178.78 7.66 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.387 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -148.06 13.12 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.232 0.613 . . . . 0.0 111.567 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 73.98 -25.83 0.19 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.558 1.543 . . . . 0.0 114.117 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -70.32 -38.92 75.03 Favored 'General case' 0 C--N 1.335 -0.039 0 CA-C-N 118.936 0.789 . . . . 0.0 109.622 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.9 -37.56 81.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.432 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.6 ttp -57.14 -47.63 80.66 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.01 -28.3 68.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.729 0.412 . . . . 0.0 111.769 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -73.4 -20.35 60.76 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.76 -17.81 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 118.229 0.468 . . . . 0.0 111.984 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -9.28 19.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.712 0.687 . . . . 0.0 111.469 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.84 -13.32 43.78 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.8 m170 145.43 -45.85 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 128.691 2.797 . . . . 0.0 109.479 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.8 p -168.25 -7.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.294 0.638 . . . . 0.0 111.629 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 170.34 178.33 41.11 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 124.796 3.664 . . . . 0.0 112.905 177.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.6 " O4'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.416 -3.064 3 O4'-C1'-N19 117.142 8.942 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.796 2 C1'-O4'-C4' 103.016 -7.316 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C1'-O4'-C4' 106.207 -3.77 OUTLIER-DELTA 0.257 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.474 " H3'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.779 2 C5'-C4'-C3' 107.753 -5.165 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.474 ' C8 ' " H3'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 110.867 2.667 . 0.201 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.093 0 O4'-C1'-N19 111.63 3.43 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.521 ' HG3' ' H ' ' A' ' 4' ' ' GLY . 12.9 tpt -151.18 168.53 24.41 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -131.04 14.21 5.2 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.343 0.657 . . . . 0.0 111.765 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.521 ' H ' ' HG3' ' A' ' 2' ' ' MET . . . -174.23 168.94 41.88 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.16 -1.63 11.2 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 124.121 3.214 . . . . 0.0 112.107 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -69.85 -2.05 11.14 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.228 0.611 . . . . 0.0 111.922 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.38 176.88 45.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.61 179.87 48.8 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -142.64 14.18 1.95 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.807 0.443 . . . . 0.0 111.431 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.7 161.27 33.1 Favored Glycine 0 CA--C 1.525 0.694 0 O-C-N 122.018 -0.426 . . . . 0.0 112.246 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 9.9 m-85 -90.77 52.93 2.28 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.466 1.106 . . . . 0.0 109.911 178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -133.59 153.33 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.18 157.88 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.356 0.598 . . . . 0.0 111.03 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.83 162.5 15.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.906 0.882 . . . . 0.0 108.662 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.25 138.08 33.0 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -145.96 164.09 33.12 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.25 -134.58 12.2 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.41 159.07 0.16 Allowed Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 124.162 0.985 . . . . 0.0 110.773 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.21 -179.17 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 124.059 3.173 . . . . 0.0 112.21 171.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.59 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 0.0 OUTLIER -59.62 -8.94 2.21 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.154 -0.341 . . . . 0.0 111.664 176.053 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -152.72 159.16 43.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.474 0.71 . . . . 0.0 110.519 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 t -163.3 -178.77 6.14 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.802 0.441 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -146.93 168.15 22.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.229 0.538 . . . . 0.0 111.228 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -15.1 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.062 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -84.51 -27.13 27.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.905 0.32 . . . . 0.0 111.45 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -80.77 -34.91 33.85 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.006 0.366 . . . . 0.0 110.019 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.35 -41.69 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.71 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.91 -24.59 63.41 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.941 0.791 . . . . 0.0 110.998 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -26.77 63.83 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 122.153 0.181 . . . . 0.0 110.931 174.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.06 -35.94 17.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.48 67.99 7.64 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -53.66 150.64 6.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.867 0.867 . . . . 0.0 111.655 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.47 -3.39 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.447 1.899 . . . . 0.0 114.516 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.2 m -91.42 -176.53 4.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.681 0.673 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.2 m -137.11 152.23 49.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.3 mp -110.0 41.97 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 CA-C-O 121.378 0.608 . . . . 0.0 109.566 -174.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.5 t60 61.14 -27.34 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.199 1.799 . . . . 0.0 114.581 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' A' ' 36' ' ' ILE . 24.3 m-20 -157.8 -27.23 0.08 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.37 1.468 . . . . 0.0 110.597 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 77.54 128.69 0.41 Allowed Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -174.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.99 10.8 0.12 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.886 0.874 . . . . 0.0 112.811 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -143.13 16.99 1.91 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.326 1.05 . . . . 0.0 111.206 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 5.03 2.05 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.01 160.19 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 117.495 0.647 . . . . 0.0 109.724 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -152.35 160.25 43.34 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.763 0.825 . . . . 0.0 109.114 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -146.27 169.48 18.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.437 0.695 . . . . 0.0 109.51 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 58' ' ' PHE . 6.3 mt -137.43 144.91 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -158.68 -178.39 7.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.844 0.858 . . . . 0.0 109.226 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.1 p -141.33 171.9 13.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.952 0.501 . . . . 0.0 110.221 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -60.33 -23.92 64.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.445 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -166.84 95.42 0.51 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.871 0.868 . . . . 0.0 110.138 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.94 -58.05 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.145 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -161.2 175.91 11.83 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 117.626 0.713 . . . . 0.0 110.952 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -151.51 146.56 25.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.944 0.498 . . . . 0.0 109.743 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.8 p 36.34 49.08 0.64 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.128 1.371 . . . . 0.0 113.609 176.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.29 2.22 6.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -155.06 137.5 15.01 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.25 -176.96 4.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.412 0.625 . . . . 0.0 112.457 -169.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 46' ' ' ILE . 99.9 m-85 -136.85 162.45 33.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.006 0.923 . . . . 0.0 108.936 172.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -144.0 104.86 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.18 152.84 43.82 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.8 -174.2 3.24 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.1 -22.62 9.11 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 119.117 -0.824 . . . . 0.0 114.044 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 t -160.3 173.36 15.8 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.849 1.325 . . . . 0.0 111.994 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.2 tt0 -59.32 -29.19 67.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.918 0.887 . . . . 0.0 110.524 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.06 -30.0 66.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.959 -0.463 . . . . 0.0 110.533 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -75.86 -36.74 59.48 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.243 -0.285 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.6 -38.03 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.77 -46.65 87.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.268 0.485 . . . . 0.0 110.346 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 51.5 mtm -66.48 -27.19 67.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.3 -30.15 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.087 0.403 . . . . 0.0 111.043 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.7 mt -79.36 -14.48 58.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.084 0.554 . . . . 0.0 111.719 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -68.32 -7.46 31.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 27.68 3.98 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.362 0.528 . . . . 0.0 110.465 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.41 -11.96 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -150.8 23.93 0.77 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.246 1.384 . . . . 0.0 112.286 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -69.39 -164.53 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.583 -0.698 . . . . 0.0 112.161 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -142.71 178.91 7.31 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.388 0.675 . . . . 0.0 111.83 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 56.7 mtt -117.87 -12.63 10.15 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.133 0.573 . . . . 0.0 111.71 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.19 -21.67 4.57 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-O 119.724 -0.487 . . . . 0.0 112.861 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -142.18 -2.61 1.13 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.635 0.717 . . . . 0.0 111.64 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 81' ' ' ARG . 12.5 tpt180 -155.95 166.65 32.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.452 ' CE1' ' C4 ' ' B' ' 3' ' ' ' G' 0.275 1.5 p90 -115.39 162.88 16.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.74 0.781 . . . . 0.0 112.538 -177.471 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 mm -130.55 165.61 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -169.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -147.31 151.17 36.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 110.527 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.61 147.01 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -148.52 157.38 43.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.1 151.53 26.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.753 -0.592 . . . . 0.0 111.245 -173.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -141.26 -179.98 6.43 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.575 0.35 . . . . 0.0 111.677 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -152.29 17.17 0.64 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.342 0.657 . . . . 0.0 112.512 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 74.3 -32.66 0.23 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.085 1.754 . . . . 0.0 113.939 174.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 37.1 m -62.64 -39.35 93.58 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 119.003 0.82 . . . . 0.0 110.239 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.01 -39.88 72.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.5 ttp -62.22 -40.97 97.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.535 0.334 . . . . 0.0 110.632 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.64 -28.37 66.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.361 0.265 . . . . 0.0 111.71 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -78.06 -63.74 1.32 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.14 -21.22 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -172.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.63 -12.69 35.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.408 0.549 . . . . 0.0 111.526 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -140.38 8.84 2.24 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.325 0.65 . . . . 0.0 112.601 -176.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -141.39 11.23 2.12 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.6 t -60.96 157.7 14.86 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.119 0.418 . . . . 0.0 110.562 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -178.09 -177.49 46.87 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.062 -1.308 . . . . 0.0 111.457 -0.22 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.59 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 N19-C1'-C2' 119.119 3.574 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.523 " H4'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.408 -3.731 2 C1'-O4'-C4' 105.313 -4.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.452 ' C4 ' ' CE1' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C1'-O4'-C4' 106.218 -3.758 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 O4'-C1'-N19 113.103 4.903 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C4'-C3'-C2' 100.747 -1.953 . 0.425 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.866 0 C5'-C4'-O4' 113.782 3.273 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.2 ttt -150.28 158.22 43.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.038 0.535 . . . . 0.0 109.69 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 pp -151.1 -179.5 7.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.37 0.668 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.99 -176.31 42.32 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.63 -3.16 12.98 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 124.073 3.182 . . . . 0.0 111.946 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -153.15 177.19 11.1 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.244 0.617 . . . . 0.0 110.502 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.31 179.58 42.39 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.81 172.18 39.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -145.33 12.77 1.38 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.078 0.551 . . . . 0.0 111.262 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.76 158.07 29.89 Favored Glycine 0 CA--C 1.526 0.778 0 O-C-N 122.047 -0.408 . . . . 0.0 112.444 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.1 m-85 -89.41 56.59 3.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 124.427 1.091 . . . . 0.0 109.86 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.42 152.53 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.67 171.71 14.7 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -110.2 162.97 14.08 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 123.278 0.631 . . . . 0.0 109.362 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 138.43 37.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -148.02 148.48 30.76 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 124.974 1.31 . . . . 0.0 107.589 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.7 -177.25 22.59 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.336 -0.459 . . . . 0.0 112.381 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.9 mt 59.08 154.69 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 125.17 1.388 . . . . 0.0 114.039 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.56 86.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 1 C-N-CA 125.835 4.357 . . . . 0.0 114.22 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 50.79 4.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 176.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -155.46 159.61 39.95 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 121.148 1.795 . . . . 0.0 113.223 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -161.22 171.97 17.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.99 1.316 . . . . 0.0 108.749 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -142.85 166.83 23.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.0 0.52 . . . . 0.0 110.324 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.77 -21.09 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.62 -24.9 33.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 119.691 -0.195 . . . . 0.0 111.152 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -83.79 -38.51 21.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.17 -35.2 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 119.799 -0.143 . . . . 0.0 110.776 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.12 -26.17 56.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.093 0.406 . . . . 0.0 110.326 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -15.99 62.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.235 0.614 . . . . 0.0 111.49 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -108.13 -26.93 10.38 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 7.8 mp -87.27 50.63 2.05 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 173.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.5 m -64.72 9.72 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.466 1.506 . . . . 0.0 113.883 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 31' ' ' LEU . 2.8 m-20 -134.89 6.28 3.4 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.276 0.63 . . . . 0.0 110.1 -178.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 59.2 m -131.55 177.42 7.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.958 0.903 . . . . 0.0 110.981 -169.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.4 m -131.69 149.88 52.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.531 ' C ' ' H ' ' A' ' 38' ' ' ASP . 24.6 mt -116.98 41.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.81 0.814 . . . . 0.0 109.481 -166.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.5 t60 60.62 -19.93 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.914 1.685 . . . . 0.0 113.896 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.6 m-20 -155.24 -36.97 0.09 Allowed 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 125.414 1.486 . . . . 0.0 109.472 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.9 -39.45 2.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 124.166 0.889 . . . . 0.0 111.473 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.69 11.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 110.422 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . . . -127.77 16.63 6.9 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.225 0.61 . . . . 0.0 111.099 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.1 5.08 6.86 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.33 160.31 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 123.236 0.615 . . . . 0.0 109.913 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -151.84 161.62 42.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.725 0.81 . . . . 0.0 109.186 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -146.34 167.97 22.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 mt -129.73 141.34 46.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.095 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -159.4 171.32 19.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.82 0.848 . . . . 0.0 109.78 -174.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.7 p -146.36 173.64 12.08 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.109 0.563 . . . . 0.0 110.356 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 1.4 9.28 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -160.65 38.72 0.16 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.429 0.633 . . . . 0.0 109.819 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.58 -127.9 5.11 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.22 11.17 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.301 0.641 . . . . 0.0 112.31 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 57.96 -5.33 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.365 1.866 . . . . 0.0 116.033 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -167.79 160.11 12.23 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 119.313 0.96 . . . . 0.0 110.636 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.25 -16.35 1.32 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 177.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -145.91 157.0 43.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.489 1.115 . . . . 0.0 109.284 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.56 174.58 11.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.413 0.625 . . . . 0.0 112.184 -174.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -132.18 162.77 30.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.16 0.984 . . . . 0.0 108.7 171.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.5 t -143.64 109.0 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.37 149.1 42.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -127.19 -171.38 2.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.734 0.302 . . . . 0.0 110.52 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.77 -32.19 5.16 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.223 -0.765 . . . . 0.0 113.499 -175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -152.42 170.51 19.94 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.284 1.042 . . . . 0.0 111.734 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.447 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.3 tt0 -59.03 -30.13 67.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.255 0.622 . . . . 0.0 110.557 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.5 -27.11 65.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.965 -0.459 . . . . 0.0 110.79 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.96 -38.03 38.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 122.025 -0.422 . . . . 0.0 110.575 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.77 -41.54 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.6 -45.84 92.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 117.919 0.327 . . . . 0.0 110.496 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.4 mtm -71.37 -27.34 63.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.96 68.61 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.607 0.639 . . . . 0.0 110.209 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.4 mt -78.81 -17.93 54.9 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.846 0.458 . . . . 0.0 111.231 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.3 -7.92 41.48 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 22.63 5.69 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.845 0.748 . . . . 0.0 111.273 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -48.44 -0.46 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -151.65 11.84 0.6 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.272 1.396 . . . . 0.0 111.83 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.99 -163.5 0.11 Allowed 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.702 0.763 . . . . 0.0 112.302 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.3 t -142.11 150.2 40.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.881 0.872 . . . . 0.0 110.071 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.7 mtt -74.79 -9.73 58.83 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.568 0.347 . . . . 0.0 110.497 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.53 -14.0 5.86 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -143.92 -9.01 0.7 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -158.07 145.66 18.32 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 118.925 0.784 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.15 139.06 50.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.383 1.873 . . . . 0.0 111.875 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.8 mm -128.46 165.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 125.263 1.425 . . . . 0.0 108.039 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -143.8 153.41 42.36 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.731 0.301 . . . . 0.0 110.669 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 t -141.98 136.45 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.533 ' CE2' " H5'" ' B' ' 6' ' ' ' U' . 10.3 t80 -133.36 151.33 51.84 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -173.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -78.1 144.54 36.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.639 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -140.54 -179.2 5.89 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.737 0.415 . . . . 0.0 110.799 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -149.29 12.09 0.82 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.525 0.73 . . . . 0.0 111.52 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 76.48 -29.42 0.18 Allowed 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.658 1.583 . . . . 0.0 113.417 172.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.8 m -66.63 -38.75 87.56 Favored 'General case' 0 N--CA 1.459 0.023 0 CA-C-N 118.73 0.695 . . . . 0.0 110.124 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.73 -41.15 79.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -59.56 -45.08 92.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -29.97 70.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.478 0.311 . . . . 0.0 111.709 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -73.07 -57.59 3.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.32 -26.07 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.25 -7.43 42.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.785 0.721 . . . . 0.0 111.118 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -138.88 8.08 2.52 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -173.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -150.21 12.66 0.75 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.158 0.436 . . . . 0.0 112.03 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.1 p -58.9 157.44 9.79 Favored 'General case' 0 C--O 1.231 0.13 0 O-C-N 121.923 -0.486 . . . . 0.0 111.379 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 178.77 176.67 46.82 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo . . . . . 0 C--O 1.251 1.151 0 C-N-CA 124.955 3.77 . . . . 0.0 112.822 177.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 2 O4'-C1'-N19 115.438 7.238 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.425 HO2' " H5'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.585 0 C5'-C4'-C3' 112.055 -2.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.425 " H5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.967 1 O4'-C1'-N19 112.63 4.43 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 1 O4'-C1'-N19 112.919 4.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C4'-C3'-C2' 100.576 -2.124 . 0.093 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.533 " H5'" ' CE2' ' A' ' 86' ' ' PHE . . . . . . . . 0 P--O5' 1.621 2.812 0 C5'-C4'-C3' 110.256 -3.496 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 42.4 ttp -155.57 6.68 0.23 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.772 0.429 . . . . 0.0 111.273 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.1 tp -138.35 9.55 2.71 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.961 -0.462 . . . . 0.0 110.951 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.48 50.07 0.21 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.516 -0.602 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.17 -2.41 8.87 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.951 2.434 . . . . 0.0 111.803 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -69.43 -16.69 63.54 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.846 0.458 . . . . 0.0 111.712 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.18 -13.47 0.37 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-O 119.515 -0.603 . . . . 0.0 113.832 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.08 172.88 45.08 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 118.653 1.226 . . . . 0.0 112.29 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' H ' ' HB3' ' A' ' 89' ' ' HIS . 63.6 mt-10 -140.21 21.15 2.42 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.398 0.679 . . . . 0.0 111.369 -173.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.35 169.42 23.06 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 4.7 m-30 -86.39 44.41 1.14 Allowed 'General case' 0 C--N 1.334 -0.074 0 C-N-CA 123.298 0.639 . . . . 0.0 109.497 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -132.08 149.14 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.87 159.15 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-O 121.381 0.61 . . . . 0.0 111.982 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -91.2 158.35 16.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.774 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.79 124.42 16.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -134.59 162.43 32.3 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 -147.57 16.29 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.943 -0.365 . . . . 0.0 112.27 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 38.82 95.31 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 126.655 1.982 . . . . 0.0 114.555 177.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 20' ' ' TRP . 60.9 Cg_endo -69.7 111.38 2.78 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.739 2.959 . . . . 0.0 110.067 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.418 ' CZ3' ' C4 ' ' B' ' 2' ' ' ' G' . 70.3 m95 -137.6 2.93 2.49 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 126.02 1.728 . . . . 0.0 110.672 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -158.61 165.63 34.01 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.073 0.549 . . . . 0.0 110.395 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.13 -173.19 4.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.891 0.876 . . . . 0.0 109.548 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -109.85 164.09 12.91 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -17.77 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.082 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -79.21 -24.94 42.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.669 0.388 . . . . 0.0 111.455 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.19 -38.72 26.59 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.37 -36.56 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.55 -26.36 61.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.46 0.573 . . . . 0.0 110.619 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -28.98 65.3 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.462 0.305 . . . . 0.0 110.992 176.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -85.46 -30.74 23.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.52 66.66 8.22 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 p -49.99 145.46 5.65 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.44 0.696 . . . . 0.0 111.477 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 56.58 -5.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.42 1.888 . . . . 0.0 114.893 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.7 176.25 8.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 119.306 0.957 . . . . 0.0 110.368 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -139.74 111.47 7.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.522 ' H ' HD11 ' A' ' 36' ' ' ILE . 4.8 mp -72.76 145.08 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -51.16 -20.84 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -146.62 -15.16 0.43 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.463 0.574 . . . . 0.0 112.533 175.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.64 0.15 87.99 Favored Glycine 0 C--N 1.338 0.663 0 CA-C-N 118.494 0.588 . . . . 0.0 113.604 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -179.9 0.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.971 1.308 . . . . 0.0 111.096 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.81 12.73 4.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.447 0.299 . . . . 0.0 111.559 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.57 0.67 18.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.78 158.7 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -151.97 162.96 40.25 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.282 0.633 . . . . 0.0 109.315 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.92 168.63 23.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.674 0.789 . . . . 0.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.7 mt -130.85 129.24 63.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -157.59 -179.37 8.1 Favored 'General case' 0 N--CA 1.457 -0.086 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -172.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.7 p -139.85 170.5 15.75 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.814 0.845 . . . . 0.0 110.246 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -63.44 -18.69 64.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.256 0.622 . . . . 0.0 112.024 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.92 -30.03 70.55 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.6 42.59 4.78 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.558 -0.579 . . . . 0.0 113.719 171.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -147.45 27.45 1.01 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.283 1.042 . . . . 0.0 111.648 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 53.87 -171.17 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.2 1.0 . . . . 0.0 111.583 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -121.79 -10.77 8.67 Favored 'General case' 0 C--O 1.231 0.084 0 O-C-N 122.124 -0.36 . . . . 0.0 111.509 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.94 -24.72 3.11 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-O 119.743 -0.476 . . . . 0.0 112.841 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.55 -172.06 3.82 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.129 0.964 . . . . 0.0 112.877 -176.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.6 -175.79 5.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.978 1.311 . . . . 0.0 110.922 -171.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -139.54 167.7 21.49 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.058 0.543 . . . . 0.0 110.426 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 52.2 t -146.79 124.74 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.543 0.737 . . . . 0.0 109.332 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -84.97 150.01 25.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.51 -173.97 3.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.927 0.394 . . . . 0.0 111.189 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.38 -34.06 5.18 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.19 -0.784 . . . . 0.0 113.638 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.1 m -151.42 170.93 18.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 118.314 1.057 . . . . 0.0 111.918 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.5 tt0 -59.62 -29.63 68.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.193 0.597 . . . . 0.0 110.875 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.16 -26.34 64.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.911 -0.493 . . . . 0.0 110.648 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -80.21 -36.67 34.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.371 -0.206 . . . . 0.0 110.667 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -38.85 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.13 -45.99 92.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.173 0.442 . . . . 0.0 110.35 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.9 mtm -67.83 -27.18 66.49 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.52 65.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.432 0.56 . . . . 0.0 110.859 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.4 mt -80.31 -12.97 59.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.204 0.602 . . . . 0.0 111.6 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.41 -5.5 28.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.87 25.36 4.31 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 118.521 0.601 . . . . 0.0 110.409 178.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -46.92 -10.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -152.67 29.31 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.286 1.403 . . . . 0.0 111.923 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.3 -166.44 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.002 -0.437 . . . . 0.0 111.026 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 79' ' ' GLY . 50.2 m -138.69 5.76 2.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.7 mtt 52.04 3.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.011 0.823 . . . . 0.0 112.625 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 109.25 -16.18 32.52 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.025 -0.875 . . . . 0.0 113.201 177.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -149.26 5.69 0.65 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.843 1.322 . . . . 0.0 114.367 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.608 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 7.4 tpt180 -143.6 -129.22 0.09 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.373 0.988 . . . . 0.0 111.542 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.608 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -165.29 121.38 1.39 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -123.84 169.77 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -147.9 145.47 28.65 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -143.85 125.5 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -133.13 153.63 51.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.65 155.03 40.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -142.03 -178.25 5.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.075 0.464 . . . . 0.0 110.908 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.413 ' HB3' ' H ' ' A' ' 9' ' ' GLU . 12.0 p80 -145.05 9.34 1.27 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.556 0.743 . . . . 0.0 111.285 -176.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 76.71 -24.48 0.22 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.378 1.471 . . . . 0.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -70.59 -40.24 73.37 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.482 0.583 . . . . 0.0 109.706 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -36.62 80.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.2 ttp -58.18 -48.28 80.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.17 -30.59 69.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.638 0.375 . . . . 0.0 111.332 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -67.47 -20.46 65.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.468 0.707 . . . . 0.0 112.773 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.11 -20.09 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.317 0.508 . . . . 0.0 111.539 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.23 -7.22 28.62 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.731 0.696 . . . . 0.0 111.16 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -127.94 7.09 6.08 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.962 0.905 . . . . 0.0 111.959 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -142.53 19.86 2.03 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.568 0.747 . . . . 0.0 110.336 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.9 p -61.35 -12.96 16.02 Favored 'General case' 0 N--CA 1.458 -0.029 0 C-N-CA 124.018 0.927 . . . . 0.0 113.051 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.48 -178.79 45.58 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo . . . . . 0 C--O 1.253 1.228 0 C-N-CA 124.94 3.76 . . . . 0.0 112.972 178.359 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.508 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C5'-C4'-C3' 109.766 -3.823 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.418 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.41 -3.564 3 O4'-C1'-N19 113.642 5.442 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.4 ' C4 ' ' CE2' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 O4'-C1'-N19 111.24 3.04 . 0.169 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.423 " H3'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.016 2 O4'-C1'-N19 112.975 4.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.562 " H2'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 111.28 3.08 . 0.149 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.562 " H3'" " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.621 2.849 0 C5'-C4'-O4' 113.911 3.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 43.9 ttm -151.41 20.26 0.74 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.935 0.494 . . . . 0.0 110.551 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.1 tp -138.71 40.04 2.19 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.745 0.818 . . . . 0.0 109.026 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 6' ' ' GLU . . . -169.21 -155.84 10.19 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -176.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.48 14.76 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.708 1 C-N-CA 126.133 4.555 . . . . 0.0 115.955 175.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 4' ' ' GLY . 53.5 mt-10 -134.3 0.1 3.05 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.022 0.828 . . . . 0.0 112.136 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.12 -171.88 43.66 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 118.432 0.56 . . . . 0.0 112.334 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.81 169.2 38.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -145.56 19.87 1.51 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.094 0.557 . . . . 0.0 111.3 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.65 168.79 19.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.9 m-30 -88.1 44.63 1.21 Allowed 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.473 0.709 . . . . 0.0 109.131 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.18 149.79 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.33 158.41 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 121.377 0.608 . . . . 0.0 111.133 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HD2' HO2' ' B' ' 6' ' ' ' U' . 56.6 mttt -90.35 156.47 18.23 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -141.67 144.24 34.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HD3' " H1'" ' B' ' 6' ' ' ' U' . 35.5 mtp-105 -149.47 162.4 40.2 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.27 -165.66 12.28 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.486 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 58.5 mt 62.08 173.17 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.324 0 C-N-CA 124.053 0.941 . . . . 0.0 111.44 -178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 97.3 Cg_exo -46.62 173.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 124.418 3.412 . . . . 0.0 113.764 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.585 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 16.8 m95 -58.99 -1.9 0.2 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -148.27 166.12 28.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.387 1.075 . . . . 0.0 109.87 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -156.92 176.76 12.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.65 0.38 . . . . 0.0 110.543 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -141.94 158.75 43.41 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.422 0.689 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -68.22 -19.36 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.326 0.651 . . . . 0.0 112.654 -173.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.83 -26.04 37.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.377 0.535 . . . . 0.0 111.448 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -80.92 -39.12 26.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -67.19 -32.97 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.49 -25.83 38.56 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.696 0.68 . . . . 0.0 111.242 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -25.56 64.83 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.698 0.226 . . . . 0.0 110.84 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 36.3 t80 -88.55 -31.76 18.49 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.88 0.472 . . . . 0.0 111.885 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -90.98 61.97 4.78 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -54.57 152.14 7.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.373 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.49 -5.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.076 1.75 . . . . 0.0 114.383 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -85.44 -175.71 5.79 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.096 0.862 . . . . 0.0 110.431 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 m -137.45 150.63 47.74 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.2 mp -112.88 42.07 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-O 121.326 0.584 . . . . 0.0 109.627 -173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.9 t60 63.12 -42.91 0.2 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.222 1.809 . . . . 0.0 114.121 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -148.89 -2.07 0.48 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.899 1.28 . . . . 0.0 110.767 171.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 99.89 -128.49 9.59 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.219 -1.553 . . . . 0.0 109.219 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.2 5.81 0.14 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.684 0.794 . . . . 0.0 112.164 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -117.53 16.47 14.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.291 1.036 . . . . 0.0 111.144 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.4 2.1 2.5 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.0 p -74.51 163.3 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 117.582 0.691 . . . . 0.0 109.552 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -150.67 152.57 34.16 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.769 0.427 . . . . 0.0 110.307 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.96 161.09 43.4 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.378 1.071 . . . . 0.0 108.673 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.56 121.44 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.42 -177.18 6.05 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.568 0.747 . . . . 0.0 110.804 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.5 p -139.54 173.52 11.45 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.22 0.608 . . . . 0.0 110.878 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -59.69 -21.19 60.25 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.348 0.659 . . . . 0.0 111.762 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.44 -20.71 32.24 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.44 19.73 24.59 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.116 -0.825 . . . . 0.0 114.773 172.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -146.07 165.22 29.72 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.75 1.275 . . . . 0.0 109.447 -177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -63.73 157.3 24.59 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.7 p -143.67 6.38 1.43 Allowed 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.211 0.604 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.56 22.02 0.13 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 50.57 -137.19 1.15 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.425 0.69 . . . . 0.0 110.9 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.41 -176.69 5.69 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -171.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -145.86 169.41 18.62 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.456 1.102 . . . . 0.0 109.207 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -145.26 108.69 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -70.99 152.42 43.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -130.91 -170.89 2.44 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -112.02 -26.1 4.51 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.915 -0.936 . . . . 0.0 113.808 -174.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.8 m -150.12 167.86 25.62 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 118.564 1.182 . . . . 0.0 111.632 -177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.7 tt0 -59.98 -30.29 69.02 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.019 0.527 . . . . 0.0 110.555 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.55 -25.68 64.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.723 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -38.57 47.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.235 -0.291 . . . . 0.0 110.33 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -68.73 -38.73 79.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -59.59 -48.48 81.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.868 0.304 . . . . 0.0 110.192 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.3 mtm -66.67 -29.54 69.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.06 -28.48 63.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.389 0.541 . . . . 0.0 111.442 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.4 mt -80.09 -15.2 57.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.757 0.423 . . . . 0.0 111.716 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -67.04 -5.88 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.51 24.59 4.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 118.533 0.606 . . . . 0.0 110.54 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.44 -19.87 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -149.96 6.43 0.6 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.306 1.412 . . . . 0.0 112.096 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -80.98 -167.35 1.38 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.229 0.468 . . . . 0.0 111.062 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.2 m -128.55 156.66 42.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.759 -169.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.5 mtt -67.15 -19.91 65.67 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.837 0.455 . . . . 0.0 110.642 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.23 -8.32 5.37 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -148.05 -11.2 0.38 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -152.59 146.75 25.45 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.937 0.789 . . . . 0.0 111.845 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.77 132.03 43.08 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.841 2.056 . . . . 0.0 111.098 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 84' ' ' GLU . 3.7 mm -124.28 170.14 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' H ' HG22 ' A' ' 83' ' ' ILE . 11.5 mt-10 -145.16 148.07 33.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.197 0.199 . . . . 0.0 110.596 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.76 153.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 C-N-CA 123.63 0.772 . . . . 0.0 108.976 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.441 ' CB ' " H2'" ' B' ' 6' ' ' ' U' . 26.5 t80 -158.83 152.65 23.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -71.72 149.84 45.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 t -139.46 -178.63 5.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.241 0.543 . . . . 0.0 111.316 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -145.63 8.83 1.16 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.855 0.862 . . . . 0.0 111.198 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 77.58 -25.28 0.2 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.403 1.481 . . . . 0.0 113.567 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.3 m -69.17 -39.48 78.72 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 118.703 0.683 . . . . 0.0 110.04 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -68.14 -40.82 82.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -59.56 -46.62 88.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -65.04 -31.59 72.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.533 0.333 . . . . 0.0 111.751 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -70.04 -49.89 46.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.8 p -80.64 -18.23 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 117.92 0.327 . . . . 0.0 111.256 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.61 -3.38 27.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.564 -0.71 . . . . 0.0 110.833 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -137.6 3.81 2.56 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.611 0.765 . . . . 0.0 112.145 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -157.98 164.26 36.98 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.081 0.552 . . . . 0.0 109.566 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.8 p -154.97 162.89 40.96 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.986 0.422 . . . . 0.0 110.9 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.52 -178.71 47.05 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 124.873 3.715 . . . . 0.0 112.697 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.524 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C5'-C4'-C3' 109.837 -3.775 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.585 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.405 -3.96 3 C1'-O4'-C4' 105.449 -4.612 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.416 " C5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.41 1 O4'-C1'-N19 113.808 5.608 . 0.4 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.425 " H2'" " H5'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 111.889 3.689 . 0.17 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.425 " H5'" " H2'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 C4'-C3'-C2' 97.615 -5.085 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.528 HO2' ' HD2' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.46 1 O4'-C1'-N19 113.163 4.963 . 0.397 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.7 tpt -147.79 7.4 0.84 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.128 0.571 . . . . 0.0 110.534 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.25 -14.93 62.72 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.168 0.587 . . . . 0.0 111.939 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.72 179.45 48.83 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.35 -178.18 3.49 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.689 3.593 . . . . 0.0 111.147 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -149.02 155.57 40.98 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.024 0.53 . . . . 0.0 109.813 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.58 -178.11 48.35 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.0 39.8 0.1 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -133.99 20.59 3.79 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 117.456 0.628 . . . . 0.0 111.779 -174.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.58 -4.12 25.09 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-O 119.704 -0.498 . . . . 0.0 112.893 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 55.49 47.08 21.79 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.35 1.06 . . . . 0.0 110.011 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.0 t -129.61 153.91 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.89 155.71 27.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.404 0.621 . . . . 0.0 111.061 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -88.56 161.24 17.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.907 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 142.86 38.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -144.25 160.33 41.16 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.97 -157.95 19.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 87.76 159.29 0.09 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.896 1.678 . . . . 0.0 111.924 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.88 40.44 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.705 1 C-N-CA 128.05 5.833 . . . . 0.0 117.081 173.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.529 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 3.9 m95 61.65 9.68 2.93 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.386 1.075 . . . . 0.0 113.004 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -159.47 159.05 33.08 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.318 0.647 . . . . 0.0 109.678 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 t -165.29 174.17 10.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.021 0.528 . . . . 0.0 110.371 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.6 m -143.29 159.79 41.69 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.048 0.939 . . . . 0.0 108.636 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.7 m -64.92 -21.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.6 -25.81 35.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.067 0.394 . . . . 0.0 111.541 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -81.87 -33.53 30.53 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.153 0.433 . . . . 0.0 110.476 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -72.62 -38.79 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.407 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -75.49 -20.52 58.72 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.638 0.654 . . . . 0.0 111.012 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -29.91 67.61 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.243 -0.286 . . . . 0.0 110.522 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -85.72 -19.97 30.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.574 0.35 . . . . 0.0 111.364 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD1' ' HZ1' ' A' ' 73' ' ' LYS . 7.7 mp -100.46 61.89 1.05 Allowed 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.907 0.883 . . . . 0.0 108.89 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 m -53.02 146.3 11.38 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.926 0.491 . . . . 0.0 110.838 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 60.02 -6.03 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.026 1.73 . . . . 0.0 114.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -77.54 -176.97 4.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 119.067 0.849 . . . . 0.0 110.306 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -134.66 155.03 51.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.568 ' C ' ' H ' ' A' ' 38' ' ' ASP . 16.6 mm -114.38 29.37 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.116 0.567 . . . . 0.0 110.088 -170.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.9 t60 59.44 -18.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.148 1.379 . . . . 0.0 113.651 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' A' ' 36' ' ' ILE . 26.7 m-20 -153.43 -28.39 0.14 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.863 1.265 . . . . 0.0 110.997 177.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.55 -6.78 33.81 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 122.989 0.328 . . . . 0.0 113.356 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -177.65 4.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 125.236 1.414 . . . . 0.0 110.806 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.51 17.61 6.96 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -175.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.53 2.18 11.22 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.37 156.8 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.772 0.829 . . . . 0.0 110.199 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -153.57 162.61 41.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.944 0.898 . . . . 0.0 108.901 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -147.98 165.62 30.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.581 0.752 . . . . 0.0 109.2 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.6 mt -133.84 130.13 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -154.23 179.42 8.99 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.877 0.871 . . . . 0.0 109.88 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.4 p -140.35 173.47 11.48 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.178 0.514 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -17.92 58.72 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.749 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.33 -42.74 74.21 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.073 0.549 . . . . 0.0 111.973 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.5 2.65 3.97 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 118.474 -1.181 . . . . 0.0 115.819 172.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -146.32 168.24 21.59 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 119.895 1.847 . . . . 0.0 109.689 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -63.65 146.69 53.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 m -71.04 -19.15 62.53 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.161 0.184 . . . . 0.0 111.137 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.47 1.19 9.26 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -142.37 167.14 22.81 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.63 0.729 . . . . 0.0 112.007 -174.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.72 -179.22 5.74 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.814 1.245 . . . . 0.0 109.599 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -141.6 162.99 34.13 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.028 0.442 . . . . 0.0 110.665 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -145.96 115.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.569 0.748 . . . . 0.0 109.185 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.16 149.06 35.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 mt -126.03 -172.82 2.7 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.726 0.298 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.19 -23.02 8.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.905 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 t -158.87 173.54 16.36 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 118.69 1.245 . . . . 0.0 111.903 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 35.6 tt0 -59.39 -29.99 68.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.888 0.875 . . . . 0.0 110.522 175.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.15 -30.3 68.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.99 -0.444 . . . . 0.0 110.613 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -75.83 -37.77 58.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.323 -0.236 . . . . 0.0 110.58 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.3 p -70.39 -38.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.52 -47.94 83.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.214 0.461 . . . . 0.0 110.05 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.2 mtm -63.69 -27.91 69.54 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -75.46 -29.04 59.51 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.145 -0.347 . . . . 0.0 111.569 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.9 mt -79.86 -12.54 59.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.667 0.387 . . . . 0.0 111.797 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.73 -10.7 59.35 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.472 ' HZ1' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -132.44 32.54 3.91 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 118.614 0.643 . . . . 0.0 110.688 -179.467 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -52.15 -7.4 0.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 -173.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -158.96 28.48 0.21 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 120.081 1.31 . . . . 0.0 112.414 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.03 -156.42 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.394 0.616 . . . . 0.0 111.315 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.3 t -139.73 141.34 36.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.779 0.832 . . . . 0.0 110.225 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 52.3 mtt -71.01 -12.94 61.81 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.38 -7.43 5.95 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -151.86 -7.64 0.22 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -153.95 155.57 35.86 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.434 1.015 . . . . 0.0 112.276 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.11 131.19 44.97 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.595 1.958 . . . . 0.0 109.672 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.2 mm -122.11 167.23 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -150.08 150.68 32.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -147.41 119.71 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -127.92 158.88 36.6 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -77.1 151.39 35.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.951 -0.468 . . . . 0.0 110.796 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 t -142.88 179.37 7.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 111.678 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -147.68 -10.67 0.4 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 103.41 -27.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.675 2.39 . . . . 0.0 111.858 173.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -66.97 -41.19 87.28 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.281 0.491 . . . . 0.0 110.322 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.72 -35.83 70.31 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 61.1 ttp -63.43 -38.71 92.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.44 0.296 . . . . 0.0 110.359 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.67 -27.28 62.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.132 -0.355 . . . . 0.0 111.473 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -78.38 -63.32 1.43 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.92 -18.45 21.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 122.165 -0.334 . . . . 0.0 111.805 -173.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.77 -8.44 21.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.439 0.563 . . . . 0.0 110.832 173.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -137.19 8.86 2.96 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.963 0.905 . . . . 0.0 111.93 -177.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -142.77 24.12 1.88 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.402 0.681 . . . . 0.0 110.662 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.4 p -62.64 -10.27 11.83 Favored 'General case' 0 C--O 1.23 0.072 0 C-N-CA 123.517 0.727 . . . . 0.0 112.887 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.88 179.07 47.22 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo . . . . . 0 C--O 1.25 1.094 0 C-N-CA 124.249 3.299 . . . . 0.0 111.205 179.555 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.529 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.418 -2.935 3 C3'-C2'-C1' 97.179 -4.801 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.468 " H1'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.497 2 O4'-C1'-N19 115.358 7.158 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 111.256 3.056 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.455 " O2'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.241 1 O4'-C1'-N19 114.994 6.794 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.524 " H2'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.644 2 O4'-C1'-N19 113.445 5.245 . 0.036 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.524 " H3'" " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C5'-C4'-O4' 113.83 3.307 . 0.205 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.1 mtm . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 tpt -152.05 152.92 33.01 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -157.55 170.28 22.77 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.984 0.514 . . . . 0.0 110.844 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.44 172.46 38.92 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.97 -22.67 25.28 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 124.126 3.218 . . . . 0.0 113.09 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.03 3.28 2.82 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.617 0.767 . . . . 0.0 112.643 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.6 -12.68 27.8 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 123.24 0.447 . . . . 0.0 112.615 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.72 161.4 25.96 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 117.761 0.78 . . . . 0.0 111.606 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -149.29 12.76 0.84 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.68 0.792 . . . . 0.0 111.055 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.9 -0.63 48.71 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.774 -0.459 . . . . 0.0 113.262 -173.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 57.82 39.64 26.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.214 1.005 . . . . 0.0 110.011 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -125.41 149.99 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.73 156.24 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-O 121.095 0.474 . . . . 0.0 110.812 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -86.55 159.76 19.16 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.34 142.71 32.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -148.76 152.4 36.5 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.17 170.58 20.25 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.436 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt 61.76 156.55 0.11 Allowed Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 125.27 1.428 . . . . 0.0 112.635 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.9 72.6 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 124.401 3.401 . . . . 0.0 111.776 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.599 ' CH2' " O4'" ' B' ' 1' ' ' ' A' . 2.5 m-90 48.35 35.06 5.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.424 1.09 . . . . 0.0 113.446 177.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -147.37 132.69 18.5 Favored 'General case' 0 CA--C 1.527 0.077 0 O-C-N 122.032 -0.417 . . . . 0.0 110.193 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.9 t -166.76 171.15 11.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.371 0.668 . . . . 0.0 109.717 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -145.34 170.44 16.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.198 0.599 . . . . 0.0 109.927 174.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.55 -17.78 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.429 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.21 -26.98 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 117.727 0.24 . . . . 0.0 111.08 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -77.75 -36.39 50.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.81 -39.88 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.959 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -70.66 -23.77 62.57 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.774 0.716 . . . . 0.0 110.821 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.22 64.09 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.42 0.288 . . . . 0.0 111.14 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -85.24 -31.25 23.25 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -95.85 52.23 1.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.1 p -62.32 9.02 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.709 1.604 . . . . 0.0 114.808 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -126.07 7.19 7.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.079 0.552 . . . . 0.0 110.537 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -128.16 -177.11 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.38 0.672 . . . . 0.0 111.283 -170.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.0 m -133.31 134.64 44.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -89.16 41.49 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.001 0.92 . . . . 0.0 110.081 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.8 t60 62.96 -39.66 0.17 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.993 1.717 . . . . 0.0 114.025 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -149.49 -8.71 0.32 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.817 1.247 . . . . 0.0 111.321 172.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 104.8 -127.58 9.12 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -176.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.88 4.0 0.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.664 0.786 . . . . 0.0 112.013 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -115.14 17.05 16.9 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.376 1.071 . . . . 0.0 111.095 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.03 3.18 2.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.88 157.46 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 117.565 0.682 . . . . 0.0 109.919 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -152.86 162.85 40.77 Favored 'General case' 0 N--CA 1.458 -0.062 0 C-N-CA 123.562 0.745 . . . . 0.0 109.554 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -145.66 171.44 14.72 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.725 0.81 . . . . 0.0 109.363 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.437 HD13 ' CE2' ' A' ' 58' ' ' PHE . 10.3 mt -136.23 70.93 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 CA-C-O 121.481 0.658 . . . . 0.0 110.968 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.34 -164.92 2.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.6 p -134.28 160.92 36.4 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.828 0.823 . . . . 0.0 112.593 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -71.13 8.04 1.08 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.366 1.466 . . . . 0.0 112.795 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -147.85 17.84 1.12 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.748 0.819 . . . . 0.0 109.06 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.61 -150.9 7.68 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -156.25 7.97 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.189 0.995 . . . . 0.0 110.681 -169.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.25 10.91 0.67 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -171.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.5 t -65.36 60.38 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.211 1.404 . . . . 0.0 112.523 175.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.68 9.42 3.69 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -148.4 144.35 27.42 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.281 1.432 . . . . 0.0 107.301 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.63 -175.18 4.32 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.14 0.495 . . . . 0.0 112.229 -170.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CD2' ' HG3' ' A' ' 93' ' ' MET . 97.5 m-85 -136.98 163.43 30.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.321 1.048 . . . . 0.0 108.883 173.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.9 t -145.05 108.41 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.53 149.54 42.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 mt -128.29 -177.08 4.01 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.052 0.453 . . . . 0.0 111.456 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.8 -35.45 6.43 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 119.186 -0.785 . . . . 0.0 113.688 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -152.19 172.64 16.06 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 118.303 1.052 . . . . 0.0 111.782 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 32.4 tt0 -59.01 -31.64 69.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.002 0.521 . . . . 0.0 110.778 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.88 -28.26 68.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.871 -0.518 . . . . 0.0 110.754 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -77.59 -39.69 44.74 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.348 -0.22 . . . . 0.0 110.633 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.1 p -68.64 -40.18 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -61.34 -44.88 96.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.2 mtm -70.66 -26.46 63.46 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.69 67.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.407 0.549 . . . . 0.0 110.653 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.3 mt -76.86 -18.58 58.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.085 0.554 . . . . 0.0 111.705 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.64 -7.88 17.49 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 26.88 3.84 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.426 0.631 . . . . 0.0 110.716 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -47.2 -6.63 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -155.81 27.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 120.229 1.377 . . . . 0.0 112.733 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -73.41 -157.55 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.597 0.713 . . . . 0.0 111.805 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -145.25 151.88 39.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.93 0.892 . . . . 0.0 110.057 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.8 mtt -72.54 -11.92 60.86 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.422 0.289 . . . . 0.0 110.373 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.6 -11.87 5.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -145.27 -8.47 0.59 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -158.01 146.47 18.99 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.159 0.891 . . . . 0.0 112.092 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.28 128.77 37.65 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 127.156 2.183 . . . . 0.0 111.466 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.8 mm -124.32 162.98 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -147.13 158.62 44.0 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.05 0.453 . . . . 0.0 111.777 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.24 155.07 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -156.01 155.0 31.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -76.88 151.26 35.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 121.845 -0.535 . . . . 0.0 111.066 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -145.6 179.39 7.46 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.637 0.375 . . . . 0.0 110.837 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -147.68 12.66 1.02 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.117 0.567 . . . . 0.0 111.858 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 75.43 -26.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.232 1.413 . . . . 0.0 113.584 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.2 m -69.56 -39.38 77.44 Favored 'General case' 0 N--CA 1.458 -0.05 0 CA-C-N 118.775 0.716 . . . . 0.0 109.758 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.15 -36.24 79.36 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.46 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.4 ttp -57.75 -47.99 80.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.33 -29.66 68.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 111.268 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -71.28 -20.39 62.22 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -122.79 -13.06 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 118.163 0.438 . . . . 0.0 111.566 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.94 -2.3 14.73 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.608 0.64 . . . . 0.0 110.262 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -124.81 5.19 8.09 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.465 1.106 . . . . 0.0 111.069 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -146.11 28.24 1.13 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.587 1.155 . . . . 0.0 109.031 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 m -61.29 -6.52 2.21 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -174.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' H ' ' HD2' ' A' ' 102' ' ' PRO . . . -174.71 -52.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 CA-C-O 118.924 -0.931 . . . . 0.0 112.156 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.403 ' HD2' ' H ' ' A' ' 101' ' ' GLY . 72.2 Cg_endo . . . . . 0 C--O 1.25 1.099 0 C-N-CA 122.748 2.299 . . . . 0.0 111.037 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.599 " O4'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -3.035 3 O4'-C1'-N19 116.712 8.512 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.436 HO2' " H5'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.502 2 C1'-O4'-C4' 103.432 -6.854 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.436 " H5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.829 2 O4'-C1'-N19 112.759 4.559 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 C5'-C4'-C3' 109.511 -3.992 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.414 ' N3 ' " C3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 112.092 -2.272 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.414 " C3'" ' N3 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.865 1 P-O3'-C3' 126.139 5.366 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 120.332 0.11 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.9 mtt -141.97 174.63 10.41 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.374 0.67 . . . . 0.0 110.376 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.73 -5.1 22.93 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.298 0.639 . . . . 0.0 111.817 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.86 178.23 48.38 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.02 172.46 14.63 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 124.062 3.175 . . . . 0.0 111.113 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -65.74 -12.21 51.97 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.084 0.554 . . . . 0.0 112.183 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.45 177.23 43.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.67 20.95 0.06 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.62 11.53 2.49 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.531 0.732 . . . . 0.0 112.312 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.15 163.21 30.49 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.8 -0.52 . . . . 0.0 111.8 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 -88.83 54.18 2.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.041 0.937 . . . . 0.0 109.869 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -133.74 151.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.6 160.16 27.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.231 0.539 . . . . 0.0 111.065 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -90.58 164.47 14.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.06 139.66 30.61 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -144.82 150.81 37.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.43 ' HA2' ' N1 ' ' B' ' 3' ' ' ' G' . . . 130.98 -157.83 22.39 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.756 172.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 61.33 150.63 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 125.909 1.684 . . . . 0.0 111.941 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -41.79 -53.32 3.43 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.746 3.631 . . . . 0.0 113.921 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.517 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 1.5 m95 -159.29 -8.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.401 0.681 . . . . 0.0 111.414 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -156.07 169.03 25.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.316 0.507 . . . . 0.0 110.687 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 t -156.11 177.42 11.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.799 0.839 . . . . 0.0 109.001 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -137.42 160.29 39.51 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 122.992 0.517 . . . . 0.0 109.609 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.04 -19.17 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.44 -26.31 26.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.968 0.349 . . . . 0.0 111.456 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -81.67 -35.77 29.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -69.36 -40.17 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.055 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -71.1 -23.75 62.16 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.835 0.743 . . . . 0.0 111.113 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -25.22 63.3 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.251 0.22 . . . . 0.0 111.132 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -89.29 -34.43 16.59 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.28 61.34 6.77 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.434 0.561 . . . . 0.0 109.994 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 34' ' ' CYS . 46.6 m -54.51 152.08 7.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.023 0.529 . . . . 0.0 111.186 177.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 62.75 -14.48 0.06 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.552 1.941 . . . . 0.0 114.038 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.415 ' H ' ' C ' ' A' ' 32' ' ' SER . 78.3 m -80.21 178.73 8.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 110.68 177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.1 m -136.2 152.11 50.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 38' ' ' ASP . 35.7 mt -121.51 41.37 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-O 121.742 0.782 . . . . 0.0 110.282 -164.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.8 t60 63.78 -29.0 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.06 1.744 . . . . 0.0 114.201 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.3 m-20 -158.25 -26.97 0.08 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.124 1.37 . . . . 0.0 110.998 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 75.4 131.48 0.3 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -172.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.34 9.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.786 0.834 . . . . 0.0 112.9 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -143.58 18.05 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.186 0.995 . . . . 0.0 111.238 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.94 6.19 4.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.82 158.18 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.146 0.578 . . . . 0.0 109.896 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -153.04 157.67 40.83 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.102 0.561 . . . . 0.0 110.304 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -145.76 172.91 12.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.299 1.04 . . . . 0.0 108.622 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 HD13 ' CE2' ' A' ' 58' ' ' PHE . 34.3 mt -134.48 73.79 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.069 0 CA-C-O 121.578 0.704 . . . . 0.0 110.256 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -156.81 -175.85 5.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.971 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.7 p -142.3 -168.84 2.82 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.051 0.453 . . . . 0.0 111.834 -172.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -53.59 -18.22 2.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.049 0.939 . . . . 0.0 111.981 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -57.1 -35.55 69.57 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.707 0.403 . . . . 0.0 111.181 173.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.49 -2.59 27.85 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.606 -1.108 . . . . 0.0 115.431 170.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -172.87 -21.73 0.01 OUTLIER 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.434 1.617 . . . . 0.0 111.31 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' CG ' ' H ' ' A' ' 54' ' ' SER . 4.6 tp60 46.69 -139.59 0.54 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.287 1.035 . . . . 0.0 111.835 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.405 ' H ' ' CG ' ' A' ' 53' ' ' GLN . 76.6 p -144.76 24.14 1.53 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.359 1.063 . . . . 0.0 110.396 -177.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.28 -162.52 13.08 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 123.597 0.618 . . . . 0.0 111.708 -176.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -129.69 -135.33 0.22 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.097 0.959 . . . . 0.0 109.715 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.01 179.67 8.27 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.091 0.859 . . . . 0.0 113.26 -174.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.4 ' CE2' HD13 ' A' ' 46' ' ' ILE . 87.2 m-85 -142.65 170.45 15.67 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.487 1.115 . . . . 0.0 109.617 175.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -147.26 118.52 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 123.659 0.784 . . . . 0.0 108.907 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -76.91 154.29 33.83 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.28 -173.7 3.23 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.11 -21.32 7.44 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.12 -0.822 . . . . 0.0 114.064 -173.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -158.1 171.53 20.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.765 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 33.0 tt0 -59.16 -29.67 67.6 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.929 0.892 . . . . 0.0 110.511 175.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.73 -28.02 64.4 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.902 -0.499 . . . . 0.0 110.584 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.03 -36.66 48.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.201 -0.312 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.03 -38.33 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.87 -46.99 87.03 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.244 0.474 . . . . 0.0 110.289 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.3 mtm -66.76 -28.28 68.28 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.11 -29.51 64.16 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.262 0.483 . . . . 0.0 111.18 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.24 -15.2 57.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.166 0.586 . . . . 0.0 111.811 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.46 -7.92 29.3 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 27.71 3.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.251 0.548 . . . . 0.0 110.55 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -46.65 -11.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -155.82 29.02 0.37 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.881 1.219 . . . . 0.0 112.504 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.27 -158.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.596 0.713 . . . . 0.0 111.687 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -144.99 150.52 37.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.857 0.863 . . . . 0.0 110.089 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.67 -13.1 61.64 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.48 -7.52 5.92 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -151.3 -7.99 0.24 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -153.17 148.8 27.33 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.364 0.984 . . . . 0.0 112.443 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.4 124.82 23.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 127.008 2.123 . . . . 0.0 110.593 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -124.26 160.66 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -148.67 160.31 43.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 111.61 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.03 146.38 20.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -146.86 151.11 36.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -73.08 146.94 45.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.064 -0.398 . . . . 0.0 110.997 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -141.35 -177.55 5.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.041 0.448 . . . . 0.0 110.731 -176.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -146.0 9.63 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.506 0.722 . . . . 0.0 111.429 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 75.59 -25.96 0.2 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.62 1.568 . . . . 0.0 113.683 173.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.1 m -68.84 -39.08 80.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.788 0.722 . . . . 0.0 109.777 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.85 -39.09 83.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.48 -47.7 81.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.19 -30.41 69.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.6 0.36 . . . . 0.0 111.604 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.394 0.678 . . . . 0.0 112.765 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.1 p -120.84 -18.76 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.294 0.497 . . . . 0.0 111.661 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.04 -5.2 16.24 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.61 0.641 . . . . 0.0 110.75 172.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -133.37 12.38 4.17 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.206 1.002 . . . . 0.0 111.001 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -148.89 21.02 1.0 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.441 0.696 . . . . 0.0 110.421 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.1 p -62.99 -8.87 8.1 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 123.574 0.75 . . . . 0.0 112.821 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.48 177.65 47.28 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo . . . . . 0 C--O 1.25 1.111 0 C-N-CA 124.108 3.206 . . . . 0.0 111.154 179.395 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.517 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.419 -2.838 2 C5'-C4'-C3' 107.324 -5.451 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.4 " H1'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.905 3.705 . 0.105 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.43 ' N1 ' ' HA2' ' A' ' 17' ' ' GLY . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C1'-O4'-C4' 106.057 -3.937 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 1 O4'-C1'-N19 112.872 4.672 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C5'-C4'-C3' 111.69 -2.54 . 0.451 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 C5'-C4'-O4' 113.001 2.715 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 119.581 -0.247 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 56.3 ttm -148.27 150.13 33.11 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-O 120.841 0.353 . . . . 0.0 110.946 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.1 tp -157.51 145.45 18.95 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.78 0.832 . . . . 0.0 108.994 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.9 -177.61 40.95 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.57 4.95 4.07 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 124.243 3.295 . . . . 0.0 111.593 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -142.71 11.67 1.86 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.026 0.531 . . . . 0.0 110.884 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.78 167.42 39.1 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.25 -175.68 44.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -140.86 12.49 2.26 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.531 0.332 . . . . 0.0 111.197 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.96 158.67 31.75 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.4 m-85 -97.72 57.05 1.32 Allowed 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.488 1.115 . . . . 0.0 109.196 176.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.49 153.59 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.0 m -136.78 154.28 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.292 0.568 . . . . 0.0 111.348 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -85.46 159.71 19.88 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.829 175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.41 132.42 24.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -145.63 172.51 13.16 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 122.6 0.36 . . . . 0.0 110.049 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.85 -128.63 9.35 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mt 70.05 165.72 0.13 Allowed Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 122.715 0.406 . . . . 0.0 109.906 172.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' CZ ' ' A' ' 81' ' ' ARG . 83.7 Cg_endo -76.89 -21.12 12.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.643 2.229 . . . . 0.0 112.784 -170.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.463 ' CZ3' ' C4 ' ' B' ' 2' ' ' ' G' . 0.0 OUTLIER 164.69 -30.49 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.315 1.846 . . . . 0.0 108.325 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -155.02 169.88 23.06 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.639 1.176 . . . . 0.0 109.477 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.6 t -160.95 -175.4 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.221 -0.299 . . . . 0.0 111.594 -176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -139.35 163.44 32.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.16 0.984 . . . . 0.0 110.047 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.4 -20.64 26.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -84.83 -27.26 26.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.462 0.574 . . . . 0.0 111.523 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -79.74 -35.06 39.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.01 0.368 . . . . 0.0 110.037 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -67.37 -44.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.688 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -73.67 -18.16 61.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 119.11 0.868 . . . . 0.0 111.649 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -28.11 63.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.896 0.316 . . . . 0.0 110.492 173.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.17 -36.79 34.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -80.62 175.57 10.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 34' ' ' CYS . 22.9 t -153.85 157.85 39.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.885 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 52.49 7.62 0.07 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.979 1.312 . . . . 0.0 113.264 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' H ' ' C ' ' A' ' 32' ' ' SER . 18.7 p -79.17 179.57 7.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.24 1.016 . . . . 0.0 110.287 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -140.82 5.95 1.99 Allowed 'General case' 0 C--N 1.338 0.083 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 mm 43.82 24.32 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.514 1.926 . . . . 0.0 113.717 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.9 t60 63.26 -36.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.718 1.607 . . . . 0.0 113.967 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -152.45 -2.36 0.26 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.24 1.016 . . . . 0.0 111.552 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 102.35 -137.3 13.29 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -173.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 0.1 0.19 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.197 0.599 . . . . 0.0 112.304 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -105.16 16.85 25.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.324 1.05 . . . . 0.0 111.493 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.69 3.29 4.22 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 p -75.09 157.99 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.486 0.643 . . . . 0.0 109.383 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -150.72 162.2 41.17 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.55 0.74 . . . . 0.0 109.143 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -145.75 173.91 11.68 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.943 0.497 . . . . 0.0 110.58 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.3 mt -135.77 143.3 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -163.66 179.68 7.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.535 1.134 . . . . 0.0 108.849 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.47 -33.23 0.13 Allowed 'General case' 0 N--CA 1.461 0.104 0 O-C-N 122.327 -0.233 . . . . 0.0 111.459 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.33 -175.55 1.68 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -174.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.39 63.36 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.151 0.98 . . . . 0.0 110.754 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.9 -28.25 0.09 OUTLIER Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.452 -0.638 . . . . 0.0 111.799 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -157.61 158.08 34.86 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.2 1.0 . . . . 0.0 109.632 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -155.86 137.14 13.88 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.6 p 44.32 26.06 0.15 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.027 1.331 . . . . 0.0 114.491 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.83 -11.43 79.35 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -141.38 157.42 45.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.58 -178.67 5.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.9 0.857 . . . . 0.0 112.741 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -139.31 161.41 37.5 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.15 171.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.6 t -142.37 110.61 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -74.9 153.97 38.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -132.08 -174.51 3.45 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.81 -24.92 7.85 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.97 -0.906 . . . . 0.0 114.168 -175.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.1 m -148.11 165.56 30.47 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.729 1.265 . . . . 0.0 112.235 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.7 tt0 -59.93 -30.38 69.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.137 0.575 . . . . 0.0 110.479 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.93 -29.31 68.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.204 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -73.65 -41.2 63.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.207 -0.308 . . . . 0.0 110.289 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -40.42 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.53 -43.96 97.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 63.6 mtm -67.07 -30.05 69.99 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.79 63.26 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.286 0.494 . . . . 0.0 111.337 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.8 -17.31 57.61 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.099 0.56 . . . . 0.0 111.825 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.87 -6.14 11.28 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 28.86 3.31 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 118.633 0.652 . . . . 0.0 110.661 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -44.57 -11.9 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -149.39 22.13 0.93 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.959 1.254 . . . . 0.0 112.757 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -69.58 -168.21 0.17 Allowed 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.659 -0.651 . . . . 0.0 112.158 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -139.0 174.38 10.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.51 0.724 . . . . 0.0 111.911 -171.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.9 mtt -110.79 -13.97 14.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.957 0.503 . . . . 0.0 111.574 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.47 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.704 -0.498 . . . . 0.0 113.411 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -149.64 4.61 0.59 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.844 0.822 . . . . 0.0 111.285 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.405 ' CZ ' ' HD3' ' A' ' 19' ' ' PRO . 36.2 ttp-105 -155.22 162.93 40.8 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.461 ' CE1' ' C4 ' ' B' ' 3' ' ' ' G' 0.27 1.7 p90 -118.02 164.09 15.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.105 0.955 . . . . 0.0 113.397 -176.551 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 mm -132.25 165.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -169.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -143.2 148.29 36.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.607 0.242 . . . . 0.0 110.435 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.81 153.71 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -158.53 163.6 36.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -79.41 155.17 28.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.968 -0.458 . . . . 0.0 110.977 -175.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t -144.49 177.61 8.53 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.983 0.513 . . . . 0.0 110.907 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -153.05 15.06 0.54 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.328 0.651 . . . . 0.0 112.252 -172.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 74.7 -34.52 0.27 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.318 1.847 . . . . 0.0 114.005 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -64.6 -39.25 93.39 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 119.04 0.836 . . . . 0.0 110.424 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -68.62 -42.78 77.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.3 ttp -59.5 -42.68 92.73 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.535 0.522 . . . . 0.0 110.863 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.94 -30.05 71.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -83.26 -22.08 33.15 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.68 -10.8 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 122.653 0.381 . . . . 0.0 112.009 -175.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -6.5 28.82 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.602 -0.686 . . . . 0.0 111.408 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -136.59 4.3 2.84 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -160.5 154.44 22.83 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 117.981 0.355 . . . . 0.0 110.38 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.8 p -161.79 169.46 21.34 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.682 0.393 . . . . 0.0 110.326 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.65 47.94 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 CA-C-O 119.05 -0.861 . . . . 0.0 112.834 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--O 1.251 1.144 0 C-N-CA 123.411 2.741 . . . . 0.0 111.116 -178.647 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.461 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -3.016 1 C5'-C4'-C3' 107.837 -5.109 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.463 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.412 -3.414 1 O4'-C1'-N19 112.648 4.448 . 0.047 0i . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.461 ' C4 ' ' CE1' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.419 -2.844 2 O4'-C1'-N19 112.895 4.695 . 0.277 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 O4'-C1'-N19 111.611 3.411 . 0.081 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.587 " H1'" ' C6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.845 1 C5'-C4'-C3' 107.627 -5.249 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.587 ' C6 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.121 2 C5'-C4'-C3' 107.331 -5.446 . 0.014 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 60.5 mtt 56.51 179.57 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.501 1.121 . . . . 0.0 112.207 -177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.2 tp -151.82 -14.06 0.19 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.226 -0.296 . . . . 0.0 111.763 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.53 54.23 0.14 Allowed Glycine 0 CA--C 1.527 0.84 0 CA-C-O 119.326 -0.708 . . . . 0.0 112.097 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -70.42 14.28 0.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 124.12 3.213 . . . . 0.0 112.787 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -140.69 10.48 2.24 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.997 0.519 . . . . 0.0 110.859 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.28 13.88 0.06 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 122.029 -0.42 . . . . 0.0 112.217 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.55 -163.82 24.23 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 53.73 18.8 1.63 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.185 0.994 . . . . 0.0 112.995 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.6 174.08 46.01 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER 63.38 29.17 15.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.81 1.244 . . . . 0.0 108.874 -175.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 t -138.78 144.05 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.62 160.42 27.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.31 0.576 . . . . 0.0 111.464 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -94.95 160.58 14.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.294 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.29 141.16 45.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -153.9 162.98 40.79 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.757 0.823 . . . . 0.0 109.061 -174.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.57 -164.21 14.69 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' C ' ' H ' ' A' ' 20' ' ' TRP . 70.1 mt 70.18 172.87 0.1 OUTLIER Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.186 1.394 . . . . 0.0 110.361 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.83 28.43 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.676 1 C-N-CA 125.701 4.268 . . . . 0.0 115.159 173.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.476 ' H ' ' C ' ' A' ' 18' ' ' LEU . 12.8 m0 51.35 32.61 8.66 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.056 0.942 . . . . 0.0 111.141 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.0 t -151.61 138.23 18.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.565 1.146 . . . . 0.0 107.95 173.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 t -162.54 174.67 12.34 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.439 0.295 . . . . 0.0 110.436 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -142.64 162.95 34.14 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.026 0.93 . . . . 0.0 109.456 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.96 -19.84 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.91 -24.28 35.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.882 0.31 . . . . 0.0 111.683 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -84.46 -35.91 22.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.988 0.358 . . . . 0.0 110.265 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.7 -36.35 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.755 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.07 -26.95 59.73 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.432 0.56 . . . . 0.0 110.951 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -25.08 64.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.467 0.307 . . . . 0.0 111.011 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -95.1 -21.43 18.54 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -102.51 62.11 0.84 Allowed 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 p -53.11 153.14 3.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 111.07 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 57.86 -1.59 0.08 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.672 1.589 . . . . 0.0 114.787 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.52 178.93 4.96 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.369 0.986 . . . . 0.0 110.068 175.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -123.39 -18.91 6.08 Favored 'General case' 0 N--CA 1.46 0.075 0 C-N-CA 122.678 0.391 . . . . 0.0 111.986 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.7 mt 54.7 23.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.408 1.083 . . . . 0.0 112.128 172.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.4 t60 67.36 -42.93 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.704 1.602 . . . . 0.0 113.304 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -152.56 1.72 0.32 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.3 1.04 . . . . 0.0 111.388 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 84.61 -120.14 5.19 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.82 5.4 0.13 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.116 0.966 . . . . 0.0 112.676 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -126.68 19.07 7.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.934 0.894 . . . . 0.0 111.222 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.45 0.92 4.35 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 p -74.1 160.94 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 117.28 0.54 . . . . 0.0 109.983 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -151.27 160.4 43.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.916 0.887 . . . . 0.0 108.978 172.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -145.33 173.54 11.89 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.459 0.704 . . . . 0.0 109.454 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.0 mt -132.03 115.51 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.088 0 CA-C-O 120.704 0.288 . . . . 0.0 111.003 -172.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -165.43 156.08 13.67 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.233 0.613 . . . . 0.0 110.58 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.4 p -149.78 178.43 8.89 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.964 0.906 . . . . 0.0 110.064 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -66.6 5.03 0.66 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.242 1.417 . . . . 0.0 114.376 -177.031 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -145.24 1.1 0.94 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 118.978 0.808 . . . . 0.0 112.545 -175.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.45 147.2 5.13 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -141.78 0.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.599 2.36 . . . . 0.0 110.749 4.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 55.25 19.24 2.84 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.699 1.2 . . . . 0.0 112.413 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.6 p -71.02 178.87 2.99 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.097 0.559 . . . . 0.0 111.695 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.71 2.75 82.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.08 140.25 56.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.13 -177.13 5.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.38 0.609 . . . . 0.0 112.389 -168.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.44 ' CD2' ' HG3' ' A' ' 93' ' ' MET . 88.5 m-85 -139.26 164.95 28.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.005 0.922 . . . . 0.0 108.812 171.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 t -144.96 112.52 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -77.85 150.0 34.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 mt -126.57 -167.03 1.66 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.579 0.352 . . . . 0.0 110.359 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -117.93 -22.23 3.97 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.986 -0.896 . . . . 0.0 113.966 -174.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -149.97 168.47 23.73 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 118.805 1.302 . . . . 0.0 111.603 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.39 -32.96 71.81 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.946 0.498 . . . . 0.0 110.286 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.37 -28.4 69.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.428 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -76.41 -41.49 47.55 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.196 -0.315 . . . . 0.0 110.378 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.92 -39.42 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -61.52 -43.41 98.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 117.991 0.36 . . . . 0.0 110.252 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.5 mtm -66.03 -31.37 72.22 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.9 60.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.239 0.472 . . . . 0.0 111.337 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.94 -13.89 55.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.049 0.539 . . . . 0.0 112.025 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.42 -8.39 32.7 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.7 25.21 4.03 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 123.498 0.719 . . . . 0.0 110.217 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.2 -12.94 0.06 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -159.57 34.16 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.428 1.013 . . . . 0.0 112.38 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -111.82 -173.61 2.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.517 0.327 . . . . 0.0 110.869 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -119.01 151.26 38.53 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -163.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.8 mtt -71.36 -26.85 62.98 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.781 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.1 -9.22 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.125 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -147.0 -17.69 0.4 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.833 1.316 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -151.64 163.44 39.09 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.419 ' C ' HD13 ' A' ' 83' ' ' ILE 0.304 0.8 OUTLIER -103.44 154.84 19.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -170.865 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 82' ' ' TYR . 1.6 mp -121.53 163.33 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -173.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -137.61 145.55 42.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.11 153.55 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -157.97 159.01 36.01 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -75.53 151.55 37.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -177.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.4 t -138.31 176.41 8.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.846 0.355 . . . . 0.0 111.072 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -143.01 13.85 1.87 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.582 0.753 . . . . 0.0 111.859 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 74.34 -33.15 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.624 1.57 . . . . 0.0 112.853 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.3 m -65.73 -39.36 91.08 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.537 0.608 . . . . 0.0 110.396 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.68 -40.43 72.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 63.4 ttp -57.02 -47.21 81.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.34 -30.84 71.32 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.542 0.211 . . . . 0.0 111.541 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -71.38 -24.86 62.15 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.559 0.744 . . . . 0.0 112.873 -176.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.73 -12.97 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 117.926 0.33 . . . . 0.0 111.117 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.3 -2.74 17.26 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.468 -0.77 . . . . 0.0 111.019 172.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -131.63 0.16 3.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.559 0.744 . . . . 0.0 112.183 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -159.05 141.7 14.18 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.9 t -159.23 -173.27 4.12 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -157.13 174.39 34.7 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 C--O 1.252 1.197 0 C-N-CA 124.394 3.396 . . . . 0.0 111.53 -178.531 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.444 ' C8 ' H5'' ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.698 1 C5'-C4'-C3' 109.241 -4.172 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.451 " H1'" ' OP2' ' B' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.305 2 C1'-O4'-C4' 102.138 -8.292 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.451 ' OP2' " H1'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.146 2 P-O3'-C3' 125.04 4.45 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 2 O4'-C1'-N19 114.242 6.042 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.551 " H1'" ' C6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 O4'-C1'-N19 110.438 2.238 . 0.181 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.551 ' C6 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.472 1 O4'-C1'-N19 112.615 4.415 . 0.034 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mtp . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.6 mmt -144.12 169.39 17.94 Favored 'General case' 0 C--O 1.231 0.095 0 C-N-CA 123.743 0.817 . . . . 0.0 109.893 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.65 15.12 1.41 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.297 0.639 . . . . 0.0 110.033 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' N ' ' CD ' ' A' ' 5' ' ' PRO . . . -168.82 45.54 0.22 Allowed Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.338 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 4' ' ' GLY . 85.1 Cg_endo -73.68 0.15 8.58 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.32 2.68 . . . . 0.0 111.83 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -151.81 169.36 22.42 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.041 0.536 . . . . 0.0 110.403 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.09 -175.05 44.86 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.1 19.03 0.27 Allowed Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.72 33.78 0.53 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.148 0.979 . . . . 0.0 112.159 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.16 164.23 32.75 Favored Glycine 0 CA--C 1.525 0.668 0 CA-C-O 121.411 0.451 . . . . 0.0 112.548 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.5 m-85 -91.17 50.65 1.8 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.628 1.171 . . . . 0.0 109.585 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -129.44 151.88 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -137.19 157.86 35.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 121.225 0.536 . . . . 0.0 111.07 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -90.73 155.14 19.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 175.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.07 133.9 28.94 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -143.44 153.78 43.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.05 -169.36 23.34 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.123 -0.561 . . . . 0.0 113.59 174.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.8 mt 60.75 151.3 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 125.025 1.33 . . . . 0.0 113.314 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -63.81 89.93 0.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 124.817 3.678 . . . . 0.0 112.646 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.471 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 13.6 m95 56.59 0.37 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 115.946 174.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -152.04 160.09 43.54 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 119.422 1.01 . . . . 0.0 111.466 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.4 t -162.43 173.31 14.26 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.208 1.003 . . . . 0.0 109.054 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.8 p -148.43 166.69 27.36 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 122.92 0.488 . . . . 0.0 110.461 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -67.29 -18.99 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 119.685 -0.198 . . . . 0.0 111.531 -176.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.89 -28.69 27.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.949 0.34 . . . . 0.0 111.55 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -78.82 -35.91 43.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.121 0.418 . . . . 0.0 110.019 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.56 -38.62 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.193 -0.317 . . . . 0.0 110.806 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.91 -24.44 62.46 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.639 0.654 . . . . 0.0 110.296 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.741 0.416 . . . . 0.0 111.33 174.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -92.16 -32.76 14.99 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -91.95 53.57 2.22 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.2 p -64.68 9.13 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.869 1.668 . . . . 0.0 114.374 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -127.79 5.55 6.07 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 123.145 0.578 . . . . 0.0 110.407 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.7 m -124.93 -176.83 3.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.457 0.703 . . . . 0.0 111.188 -171.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.5 m -133.85 129.11 35.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.571 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.3 mp -85.15 42.26 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.669 1.187 . . . . 0.0 109.578 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.6 t60 60.19 -19.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 113.56 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.8 m-20 -155.38 -37.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.695 1.598 . . . . 0.0 109.115 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.6 -41.69 1.63 Allowed Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.202 0.906 . . . . 0.0 111.216 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.09 12.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.901 1.28 . . . . 0.0 110.405 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.42 18.13 6.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.3 0.64 . . . . 0.0 111.147 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.59 7.41 4.25 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.59 160.09 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.154 0.582 . . . . 0.0 109.878 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -151.12 155.46 38.97 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.223 0.609 . . . . 0.0 110.023 173.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.08 168.86 19.92 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.679 0.792 . . . . 0.0 109.341 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.402 HD12 ' CE2' ' A' ' 58' ' ' PHE . 32.7 mt -138.66 134.65 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -174.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -161.53 177.32 10.15 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.909 0.484 . . . . 0.0 110.438 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.1 p -143.39 164.99 28.76 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-O 121.403 0.62 . . . . 0.0 110.499 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -76.22 6.72 5.05 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.3 1.04 . . . . 0.0 112.135 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -138.22 11.83 2.81 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.857 0.863 . . . . 0.0 110.533 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.8 -136.88 3.37 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 54' ' ' SER . 53.1 ttt180 -151.14 174.63 12.99 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.98 0.912 . . . . 0.0 109.411 -173.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -64.91 7.92 0.15 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.956 0.902 . . . . 0.0 112.572 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 52' ' ' ARG . 22.1 t -71.56 2.41 5.16 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.43 0.692 . . . . 0.0 111.495 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.77 -5.62 52.32 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 80.55 -165.89 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.905 1.682 . . . . 0.0 111.607 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.78 177.6 9.65 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -170.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.402 ' CE2' HD12 ' A' ' 46' ' ' ILE . 94.2 m-85 -137.66 167.11 22.35 Favored 'General case' 0 C--N 1.338 0.071 0 C-N-CA 124.851 1.26 . . . . 0.0 108.796 172.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.7 t -145.82 112.08 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.17 151.14 40.08 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.22 -177.88 4.5 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.938 0.399 . . . . 0.0 111.192 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.33 -34.2 6.82 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.905 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.3 m -153.17 171.26 18.75 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.362 1.081 . . . . 0.0 111.885 -176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.9 tt0 -59.45 -28.27 66.82 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.26 0.624 . . . . 0.0 110.994 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.51 -28.24 64.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.57 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.64 -37.54 56.16 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.259 -0.276 . . . . 0.0 110.596 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.59 -39.93 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.75 -43.19 99.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.176 0.444 . . . . 0.0 110.381 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.1 mtm -70.19 -27.42 64.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.25 -29.88 65.65 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.447 0.567 . . . . 0.0 110.834 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.6 mt -78.43 -18.26 55.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.243 0.617 . . . . 0.0 111.695 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.98 -8.45 22.88 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 26.19 3.9 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.39 0.614 . . . . 0.0 110.715 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 46.8 p30 -44.6 -12.5 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -145.81 16.37 1.42 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 120.534 1.515 . . . . 0.0 111.792 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -71.61 -161.27 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.608 0.718 . . . . 0.0 111.754 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -143.47 157.54 44.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.584 0.754 . . . . 0.0 110.315 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.1 mtt -76.46 -7.52 55.25 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.148 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.59 -17.91 6.08 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -144.03 -4.58 0.82 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -154.75 140.11 17.7 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.6 0.636 . . . . 0.0 111.315 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.411 ' CE1' ' HG2' ' A' ' 84' ' ' GLU . 1.6 t80 -67.22 145.18 55.48 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.793 1.637 . . . . 0.0 111.408 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.4 mm -132.48 157.39 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 125.343 1.457 . . . . 0.0 107.848 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.711 ' CG ' ' H22' ' B' ' 3' ' ' ' G' . 4.9 mm-40 -135.1 138.16 43.53 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -176.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.9 149.58 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -154.81 155.32 34.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -75.87 155.17 35.53 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.16 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.7 t -143.3 -173.11 3.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.698 0.399 . . . . 0.0 110.209 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 2.8 p80 -140.19 -44.2 0.42 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.162 -173.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 131.19 -21.86 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.296 2.638 . . . . 0.0 112.398 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 m -67.0 -41.26 87.02 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 118.121 0.418 . . . . 0.0 110.455 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.28 -37.37 71.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 60.1 ttp -62.82 -35.7 80.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.452 0.301 . . . . 0.0 110.465 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.86 -27.77 60.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.735 0.302 . . . . 0.0 111.535 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -77.59 -64.41 1.16 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -175.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.15 -17.52 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 122.29 -0.256 . . . . 0.0 111.601 -173.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.79 -9.9 53.67 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.152 0.433 . . . . 0.0 111.246 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -138.94 10.04 2.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.549 0.74 . . . . 0.0 112.274 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -141.79 22.76 2.12 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.928 0.491 . . . . 0.0 111.063 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.4 m -52.54 140.6 22.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.83 0.452 . . . . 0.0 111.048 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 169.29 -179.15 42.07 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 124.194 3.263 . . . . 0.0 110.977 178.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.47 " H1'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -3.006 2 C5'-C4'-C3' 108.552 -4.632 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.471 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 C5'-C4'-O4' 113.377 2.984 . 0.051 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.711 ' H22' ' CG ' ' A' ' 84' ' ' GLU . . . . . . . . 0 O4'--C4' 1.42 -2.745 2 O4'-C1'-N19 113.924 5.724 . 0.248 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.922 1 O4'-C1'-N19 112.4 4.2 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.478 " H1'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C3'-C2'-C1' 103.812 2.568 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.478 " H3'" " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.705 1 P-O3'-C3' 125.928 5.19 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -154.79 172.77 17.43 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.011 0.524 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.59 168.4 7.56 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.112 0.482 . . . . 0.0 111.1 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.63 -51.53 0.05 OUTLIER Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.253 -0.748 . . . . 0.0 111.716 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.66 -17.96 24.63 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.67 2.913 . . . . 0.0 112.742 173.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -156.48 173.83 16.32 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.24 -175.78 36.88 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.49 179.79 40.77 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -154.41 -1.57 0.18 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.51 -170.98 43.63 Favored Glycine 0 C--N 1.338 0.653 0 CA-C-N 118.292 0.496 . . . . 0.0 113.133 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 73.47 22.07 2.78 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 126.783 2.033 . . . . 0.0 107.538 -176.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.53 148.43 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.83 154.57 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.241 0.543 . . . . 0.0 111.132 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -82.74 156.29 23.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.14 133.48 26.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -154.24 153.88 32.51 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 -172.15 24.13 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.5 -0.381 . . . . 0.0 112.428 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 mt 60.07 162.24 0.1 Allowed Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.113 1.365 . . . . 0.0 113.837 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.73 75.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 1 C-N-CA 126.475 4.784 . . . . 0.0 114.993 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.46 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 3.8 m95 52.61 6.0 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 t -157.82 155.75 30.27 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 120.525 1.511 . . . . 0.0 113.177 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -161.74 -179.89 7.59 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.916 1.686 . . . . 0.0 108.967 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.1 p -145.45 171.06 15.18 Favored 'General case' 0 C--N 1.339 0.126 0 O-C-N 122.049 -0.407 . . . . 0.0 111.131 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.83 -20.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.35 -28.05 34.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.983 0.356 . . . . 0.0 111.352 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -78.99 -36.59 41.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.06 0.391 . . . . 0.0 109.988 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.23 -37.23 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 O-C-N 122.395 -0.191 . . . . 0.0 110.857 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.36 -24.51 61.29 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.612 0.642 . . . . 0.0 110.345 176.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -23.1 61.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.645 0.378 . . . . 0.0 111.303 172.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -99.2 -25.89 14.37 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' ' 33' ' ' ASP . 2.1 mm? -104.18 53.73 0.74 Allowed 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.2 p -63.35 9.83 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.433 1.493 . . . . 0.0 114.313 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 31' ' ' LEU . 21.4 m-20 -125.42 4.66 7.67 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.149 0.579 . . . . 0.0 110.709 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.09 -178.92 3.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.456 0.702 . . . . 0.0 110.815 -175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -123.61 -13.3 7.54 Favored 'General case' 0 C--O 1.23 0.051 0 C-N-CA 122.793 0.437 . . . . 0.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.513 ' C ' ' H ' ' A' ' 38' ' ' ASP . 7.7 mt 52.75 29.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.096 0.959 . . . . 0.0 111.259 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.9 t60 63.03 -18.69 0.05 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.491 1.516 . . . . 0.0 113.573 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.14 -37.41 0.07 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.92 1.288 . . . . 0.0 109.875 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.26 -38.77 2.22 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 124.056 0.836 . . . . 0.0 111.428 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.42 11.48 1.01 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.065 1.346 . . . . 0.0 110.457 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.45 15.74 6.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.979 0.511 . . . . 0.0 111.355 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.84 4.87 7.45 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 175.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.04 160.5 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.293 0.637 . . . . 0.0 109.783 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -149.66 154.7 39.01 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 123.438 0.695 . . . . 0.0 109.361 173.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -150.52 159.66 44.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.35 0.66 . . . . 0.0 109.248 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mp -137.79 142.43 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -164.92 171.12 14.47 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.825 0.345 . . . . 0.0 111.332 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.3 p -145.67 157.93 43.9 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.643 0.777 . . . . 0.0 109.671 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.25 31.15 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.731 1.612 . . . . 0.0 113.695 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 38.15 42.98 0.53 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.077 1.351 . . . . 0.0 113.53 -173.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -148.75 -8.72 0.18 Allowed Glycine 0 CA--C 1.532 1.146 0 N-CA-C 115.827 1.091 . . . . 0.0 115.827 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -152.95 157.65 40.92 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.385 1.593 . . . . 0.0 108.968 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' HB2' ' H61' ' B' ' 1' ' ' ' A' . 60.2 mm-40 -87.76 -31.93 19.38 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.754 0.252 . . . . 0.0 111.232 -177.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.6 m 46.38 14.89 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.8 13.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.363 -0.687 . . . . 0.0 113.54 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 49.73 -135.01 1.35 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.128 0.964 . . . . 0.0 111.99 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.43 -178.79 7.05 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -145.41 171.13 15.06 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.706 0.802 . . . . 0.0 110.83 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -147.01 115.26 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.982 0.913 . . . . 0.0 109.01 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -79.51 147.28 32.27 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -123.0 -173.18 2.65 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.863 0.363 . . . . 0.0 110.743 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.22 -30.46 5.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.982 -0.899 . . . . 0.0 113.546 -175.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.9 m -150.86 172.28 15.89 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.601 1.201 . . . . 0.0 112.118 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.22 -30.42 70.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.32 -27.73 64.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.355 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -76.81 -37.1 56.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.156 -0.34 . . . . 0.0 110.6 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.33 -39.26 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.47 -46.75 88.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.15 0.432 . . . . 0.0 110.47 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.5 mtm -67.04 -27.62 67.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.53 62.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.271 0.487 . . . . 0.0 110.959 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.4 -17.19 58.37 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.974 0.51 . . . . 0.0 111.564 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -66.26 -9.09 29.15 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 26.9 4.03 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-O 121.451 0.643 . . . . 0.0 110.714 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.6 p30 -48.17 -5.45 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -155.13 25.24 0.42 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.042 1.292 . . . . 0.0 112.749 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -72.04 -162.15 0.09 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.826 0.822 . . . . 0.0 111.437 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.7 t -144.16 152.96 41.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.572 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.7 mtt -76.24 -11.17 59.87 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.829 0.452 . . . . 0.0 110.472 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.94 -3.66 7.41 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 119.555 -0.581 . . . . 0.0 111.991 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -149.66 -16.68 0.27 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.04 0.92 . . . . 0.0 113.009 -177.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -152.91 154.07 34.3 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 119.058 0.844 . . . . 0.0 111.805 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.95 128.09 35.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 111.74 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.2 mm -121.59 161.38 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 175.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -146.55 157.9 43.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 111.374 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -142.09 154.1 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -156.41 156.24 33.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -72.34 151.69 42.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.909 -0.494 . . . . 0.0 110.943 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.1 t -141.28 173.83 11.11 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.094 0.558 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -150.32 13.07 0.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.576 0.75 . . . . 0.0 112.002 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 79.38 -28.07 0.15 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.745 2.018 . . . . 0.0 113.274 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -67.67 -40.2 84.46 Favored 'General case' 0 CA--C 1.524 -0.037 0 CA-C-N 119.083 0.856 . . . . 0.0 110.406 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.52 -45.09 73.17 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -61.84 -43.25 99.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.273 -175.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.12 -33.11 75.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.335 0.254 . . . . 0.0 111.441 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -69.88 -55.16 10.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.77 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.14 -26.49 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 117.91 0.323 . . . . 0.0 111.745 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.83 -8.83 31.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.812 0.733 . . . . 0.0 110.795 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -138.63 9.12 2.63 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -148.45 8.08 0.79 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.0 t -69.16 -0.65 6.25 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.759 -0.588 . . . . 0.0 112.129 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.2 -179.44 48.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--O 1.252 1.183 0 C-N-CA 124.913 3.742 . . . . 0.0 112.969 178.235 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.494 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C5'-C4'-C3' 109.955 -3.697 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.475 " C4'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.408 -3.785 3 P-O3'-C3' 125.194 4.578 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.449 " C5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C5'-C4'-C3' 109.955 -3.697 . 0.228 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.488 ' C8 ' H5'' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.84 1 C5'-C4'-C3' 108.917 -4.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.417 ' N3 ' " C3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C5'-C4'-C3' 112.217 -2.189 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.417 " C3'" ' N3 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.759 1 P-O3'-C3' 126.227 5.439 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 89.9 mtp 55.91 178.78 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.662 1.185 . . . . 0.0 112.521 -176.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -158.64 172.08 18.93 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.108 0.563 . . . . 0.0 111.04 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 -179.05 46.44 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.57 155.49 13.27 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.999 3.133 . . . . 0.0 112.219 176.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.73 4.15 1.31 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.472 0.309 . . . . 0.0 111.745 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.23 -178.47 48.75 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 118.28 0.491 . . . . 0.0 112.585 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.15 20.97 0.09 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.724 -0.951 . . . . 0.0 110.724 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.62 8.87 1.26 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.416 1.086 . . . . 0.0 112.869 -172.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.35 -5.51 7.86 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.885 -0.397 . . . . 0.0 112.504 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 49.78 26.05 1.76 Allowed 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 124.092 0.957 . . . . 0.0 110.971 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.55 155.51 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.91 154.78 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 121.043 0.449 . . . . 0.0 109.971 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -89.47 157.44 18.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.66 142.84 45.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -149.67 148.35 29.18 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.96 -167.6 18.31 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.545 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.4 mt 63.38 156.08 0.12 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 125.302 1.441 . . . . 0.0 112.79 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.79 69.57 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.903 3.735 . . . . 0.0 112.128 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.433 ' CH2' ' C4 ' ' B' ' 1' ' ' ' A' . 0.0 OUTLIER 47.81 24.94 0.64 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.589 1.555 . . . . 0.0 113.623 176.161 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -151.13 146.52 26.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.801 -0.562 . . . . 0.0 110.52 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 t -166.93 178.79 5.6 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.95 0.9 . . . . 0.0 108.895 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.8 p -146.5 163.48 35.58 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.92 0.488 . . . . 0.0 109.715 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -68.47 -19.45 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.169 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.52 -27.86 27.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.653 0.206 . . . . 0.0 111.27 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.86 -34.42 39.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.982 0.355 . . . . 0.0 110.055 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -72.91 -37.72 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 117.749 0.25 . . . . 0.0 110.802 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.91 -25.47 61.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.605 0.639 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -28.27 65.09 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.591 0.357 . . . . 0.0 110.975 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HB2' ' HE2' ' A' ' 78' ' ' MET . 74.9 t80 -86.98 -19.31 28.91 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HZ1' ' A' ' 73' ' ' LYS . 8.0 mp -102.85 63.67 0.84 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.822 0.849 . . . . 0.0 109.075 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 m -53.75 146.81 12.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.908 0.483 . . . . 0.0 110.824 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 59.11 -3.88 0.08 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.977 1.711 . . . . 0.0 114.482 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.7 m -81.95 -177.76 6.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 119.076 0.853 . . . . 0.0 110.435 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m -139.88 138.41 35.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.3 mp -99.69 43.29 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 109.76 -173.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.9 t60 62.33 -27.98 0.07 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.151 1.78 . . . . 0.0 114.221 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.13 -25.31 0.09 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.378 1.471 . . . . 0.0 110.673 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.67 126.91 0.36 Allowed Glycine 0 C--N 1.338 0.65 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.63 12.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.868 0.867 . . . . 0.0 112.99 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.35 16.77 2.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.338 1.055 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.38 6.92 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -78.75 159.0 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 117.425 0.612 . . . . 0.0 109.871 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -153.89 161.95 41.61 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.587 0.755 . . . . 0.0 109.797 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.06 170.33 18.62 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.227 1.011 . . . . 0.0 109.349 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.42 HD13 ' CE2' ' A' ' 58' ' ' PHE . 36.6 mt -133.78 117.62 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 118.004 0.366 . . . . 0.0 110.554 -175.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -160.9 -176.16 5.35 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.578 0.751 . . . . 0.0 110.539 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.9 p -137.86 164.61 28.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.488 0.661 . . . . 0.0 110.723 176.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.66 0.71 12.02 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.507 1.123 . . . . 0.0 113.15 -176.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -146.54 32.74 0.96 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.243 0.474 . . . . 0.0 110.789 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.4 -135.19 2.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.356 -0.697 . . . . 0.0 111.356 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -145.56 173.68 11.83 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 125.322 1.449 . . . . 0.0 108.255 -174.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -58.87 136.71 57.92 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -68.59 -12.07 60.83 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.429 0.157 . . . . 0.0 111.015 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.74 4.61 39.53 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -135.57 164.0 28.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.848 0.832 . . . . 0.0 112.411 -172.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.1 -176.85 4.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.82 1.248 . . . . 0.0 109.5 -176.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.434 ' CD2' ' HG3' ' A' ' 93' ' ' MET . 96.6 m-85 -140.87 166.23 25.35 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-O 121.115 0.483 . . . . 0.0 110.454 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -144.83 112.72 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.29 146.77 45.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.77 -174.71 3.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.454 0.57 . . . . 0.0 110.668 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.33 -22.96 7.19 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.09 -0.839 . . . . 0.0 113.809 -172.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -148.71 164.51 34.15 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 118.521 1.16 . . . . 0.0 111.03 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -59.0 -32.98 70.19 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.93 -25.47 66.37 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 122.046 -0.409 . . . . 0.0 111.36 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.62 -40.15 50.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.68 -39.02 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -56.44 -51.04 69.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.7 mtm -64.75 -28.22 69.43 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.48 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -74.18 -29.09 61.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.063 -0.398 . . . . 0.0 111.548 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -79.49 -14.41 58.91 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.722 0.409 . . . . 0.0 111.858 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.49 -10.39 57.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -130.75 33.06 4.28 Favored 'General case' 0 N--CA 1.458 -0.044 0 CA-C-N 118.703 0.683 . . . . 0.0 111.209 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.56 -7.29 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.97 24.04 0.38 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 120.08 1.309 . . . . 0.0 112.712 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.9 -158.77 0.07 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.531 0.681 . . . . 0.0 111.511 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -143.48 149.06 37.01 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.141 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.402 ' HE2' ' HB2' ' A' ' 30' ' ' PHE . 64.7 mtt -73.24 -12.42 60.86 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.06 -13.46 4.97 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -145.33 -6.44 0.64 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -156.56 148.1 22.56 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.401 1.001 . . . . 0.0 112.275 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.18 128.55 36.31 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.226 2.21 . . . . 0.0 111.028 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.5 mm -120.97 163.72 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -147.66 154.5 40.69 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.855 0.462 . . . . 0.0 110.106 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -145.8 156.81 12.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.529 ' CD1' " H3'" ' B' ' 6' ' ' ' U' . 18.8 t80 -157.59 165.45 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -82.1 151.56 26.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.582 0.23 . . . . 0.0 110.431 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -149.14 176.89 10.1 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.815 0.446 . . . . 0.0 110.663 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -148.04 12.9 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 111.705 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 78.82 -27.91 0.16 Allowed 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 125.49 1.516 . . . . 0.0 113.778 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.2 m -68.82 -39.02 80.24 Favored 'General case' 0 C--N 1.335 -0.023 0 CA-C-N 118.731 0.696 . . . . 0.0 109.878 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.7 -38.11 80.03 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.434 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 62.0 ttp -56.6 -46.76 80.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 -30.14 70.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.788 0.435 . . . . 0.0 111.88 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -73.33 -21.56 60.52 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.1 -12.71 10.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.116 0.416 . . . . 0.0 111.787 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.39 -5.4 36.19 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.196 -0.94 . . . . 0.0 111.533 173.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -131.54 3.44 4.21 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 122.878 0.471 . . . . 0.0 112.259 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -158.54 143.61 16.3 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.5 m -150.2 169.04 22.26 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.918 0.389 . . . . 0.0 110.437 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -174.39 177.97 46.37 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 124.067 3.178 . . . . 0.0 111.045 179.778 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.569 " H1'" " H4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.395 1 N19-C1'-C2' 119.932 4.083 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.569 " H4'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.408 -3.731 3 O4'-C1'-N19 115.041 6.841 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 2 O4'-C1'-N19 114.608 6.408 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.592 HO2' " C5'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.534 1 O4'-C1'-N19 113.228 5.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.634 " H1'" ' C6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 111.322 3.122 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.634 ' C6 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.376 2 C5'-C4'-C3' 107.044 -5.638 . 0.01 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 73.7 mtm -67.16 169.93 7.81 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.777 0.431 . . . . 0.0 110.768 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.92 -10.09 50.45 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.696 0.398 . . . . 0.0 111.423 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.83 176.18 40.58 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -71.8 -1.88 10.58 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 124.028 3.152 . . . . 0.0 111.809 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -140.73 12.01 2.27 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.397 0.679 . . . . 0.0 110.603 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.52 -16.29 58.86 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 119.711 -0.494 . . . . 0.0 112.04 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.08 -171.03 18.68 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 117.5 0.65 . . . . 0.0 112.625 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' H ' ' HB3' ' A' ' 89' ' ' HIS . 45.3 mt-10 49.75 91.52 0.02 OUTLIER 'General case' 0 C--O 1.231 0.117 0 C-N-CA 125.537 1.535 . . . . 0.0 112.529 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.07 179.1 18.17 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 2.9 m-30 -84.0 47.09 1.26 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.42 0.629 . . . . 0.0 109.446 -178.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.98 148.72 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.76 157.46 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 CA-C-O 121.221 0.534 . . . . 0.0 111.623 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -88.4 157.92 18.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.47 141.07 29.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -155.1 152.02 29.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.73 -177.29 20.28 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 112.101 -0.399 . . . . 0.0 112.101 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 19.6 mt 59.21 167.8 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 124.462 1.105 . . . . 0.0 112.269 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 18.9 Cg_endo -54.34 143.37 65.75 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 121.672 1.581 . . . . 0.0 108.243 168.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.495 ' CZ3' ' C4 ' ' B' ' 2' ' ' ' G' . 0.3 OUTLIER -72.64 67.36 0.77 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.299 0.571 . . . . 0.0 112.154 -174.419 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -155.56 17.67 0.39 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.133 1.373 . . . . 0.0 110.304 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.64 170.81 1.31 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.927 1.291 . . . . 0.0 112.306 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -143.15 168.65 19.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.402 0.681 . . . . 0.0 111.109 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.402 ' CG1' HG12 ' A' ' 43' ' ' VAL . 1.9 m -64.98 -19.26 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 123.289 0.636 . . . . 0.0 112.614 -174.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.89 -28.29 30.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 111.159 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.99 -37.47 47.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.075 0.398 . . . . 0.0 109.977 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.13 -42.37 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 119.351 -0.357 . . . . 0.0 111.081 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.7 -21.03 57.95 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.096 0.862 . . . . 0.0 111.28 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.96 65.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.321 0.248 . . . . 0.0 111.033 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -84.9 -33.84 22.68 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.38 51.96 2.37 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 7.4 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 114.891 -174.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -122.73 0.66 9.31 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-N 118.374 0.534 . . . . 0.0 110.454 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.9 m -111.91 -174.76 2.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.886 0.874 . . . . 0.0 110.799 -172.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.6 m -139.63 132.51 29.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -82.74 141.03 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -49.94 -35.36 23.81 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -150.67 1.7 0.44 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.017 0.527 . . . . 0.0 111.773 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 95.74 -133.34 11.44 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -175.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 1.94 0.63 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.917 0.487 . . . . 0.0 112.182 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -110.21 17.3 21.09 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.401 1.081 . . . . 0.0 110.409 176.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.87 27.74 3.15 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.402 HG12 ' CG1' ' A' ' 24' ' ' VAL . 3.0 p -118.44 161.81 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.144 0.578 . . . . 0.0 110.152 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -150.98 158.8 44.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.509 0.724 . . . . 0.0 109.474 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -147.61 143.81 27.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mm -92.68 143.33 11.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -164.82 176.15 9.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.138 0.575 . . . . 0.0 110.167 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 p -142.19 174.84 10.24 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.857 0.863 . . . . 0.0 109.041 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -29.07 64.49 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 116.976 -0.102 . . . . 0.0 110.884 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -168.38 105.57 0.46 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.125 0.97 . . . . 0.0 109.749 173.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -177.2 -45.97 0.06 OUTLIER Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.588 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -161.64 169.38 21.71 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.557 0.743 . . . . 0.0 109.429 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -154.01 141.82 20.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m 34.99 56.18 0.76 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.948 1.299 . . . . 0.0 113.672 173.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.17 1.62 6.68 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -156.28 149.35 24.22 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.18 -178.88 6.65 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.709 0.766 . . . . 0.0 112.703 -170.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.24 159.47 42.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.889 1.276 . . . . 0.0 107.597 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -142.08 117.7 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.38 148.48 29.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.3 mt -127.02 -173.58 2.93 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.176 0.512 . . . . 0.0 111.293 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.43 -32.9 6.42 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.507 -175.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -151.93 169.09 23.15 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.447 1.124 . . . . 0.0 111.894 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.515 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 39.1 tp10 -60.92 -27.05 67.92 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.031 0.532 . . . . 0.0 110.672 176.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.65 -27.59 64.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.29 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -76.62 -36.42 57.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.386 0.274 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -69.4 -39.72 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.7 -45.24 94.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.396 0.544 . . . . 0.0 110.51 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 48.8 mtm -68.08 -25.18 65.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.34 -28.79 63.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.203 0.456 . . . . 0.0 111.113 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.12 -14.6 57.53 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.406 0.682 . . . . 0.0 112.076 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.16 -4.38 13.62 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 26.71 3.22 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 124.052 0.941 . . . . 0.0 109.618 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -48.76 -14.34 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -157.33 15.53 0.26 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 119.902 1.228 . . . . 0.0 113.336 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -78.83 -161.08 0.26 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.963 -0.461 . . . . 0.0 110.257 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.0 t -130.98 154.78 47.8 Favored 'General case' 0 N--CA 1.458 -0.054 0 O-C-N 121.903 -0.498 . . . . 0.0 112.011 -171.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.68 -17.69 64.98 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.996 0.518 . . . . 0.0 110.129 174.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.67 -5.68 5.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -151.31 -11.66 0.21 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -155.53 147.72 23.63 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.234 0.924 . . . . 0.0 112.136 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.83 131.38 46.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.372 2.269 . . . . 0.0 111.411 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 mm -122.43 167.37 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -145.8 147.07 31.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.862 0.465 . . . . 0.0 109.921 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.57 153.71 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.113 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.406 ' HB2' " H2'" ' B' ' 6' ' ' ' U' . 30.2 t80 -156.8 156.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.55 152.96 37.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -140.49 179.22 6.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.56 . . . . 0.0 110.648 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.475 ' HB3' ' H ' ' A' ' 9' ' ' GLU . 14.8 p80 -144.19 12.56 1.59 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.493 0.717 . . . . 0.0 110.898 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 74.35 -26.63 0.19 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.299 1.439 . . . . 0.0 113.66 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -70.18 -38.52 75.39 Favored 'General case' 0 C--N 1.335 -0.033 0 CA-C-N 118.54 0.609 . . . . 0.0 109.954 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.8 -38.7 76.72 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.72 -40.87 89.46 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -70.75 -28.36 64.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -74.35 -60.5 2.24 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.69 -24.72 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.159 0.436 . . . . 0.0 111.722 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.22 -4.9 23.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.361 0.528 . . . . 0.0 111.048 175.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -136.42 5.59 2.97 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.779 0.832 . . . . 0.0 112.161 -175.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -144.92 22.3 1.58 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.565 0.746 . . . . 0.0 110.679 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -61.42 -11.75 11.69 Favored 'General case' 0 C--O 1.23 0.05 0 C-N-CA 123.858 0.863 . . . . 0.0 113.192 -178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -177.3 -179.15 47.47 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.906 3.738 . . . . 0.0 112.877 178.189 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.489 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 N19-C1'-C2' 119.71 3.943 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.495 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.411 -3.478 2 O4'-C1'-N19 113.488 5.288 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.477 " C5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 114.037 5.837 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 2 O4'-C1'-N19 112.911 4.711 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.567 " H1'" ' C6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.0 2 P-O3'-C3' 125.397 4.748 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.567 ' C6 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 112.083 3.883 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.263 0.078 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.52 -0.62 0.47 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.85 -22.99 63.22 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.852 0.296 . . . . 0.0 111.206 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.42 -178.77 37.2 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 167.61 1.19 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 124.739 3.626 . . . . 0.0 112.914 174.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -138.45 7.61 2.6 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.315 0.646 . . . . 0.0 111.083 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.56 175.1 46.13 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 10' ' ' GLY . . . 171.16 -177.47 44.08 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' C ' ' HA ' ' A' ' 89' ' ' HIS . 36.5 mt-10 65.81 -27.0 0.11 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.557 1.943 . . . . 0.0 113.982 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 8' ' ' GLY . . . 52.26 -2.27 0.01 OUTLIER Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.164 1.84 . . . . 0.0 116.518 173.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 53.9 39.93 30.99 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 118.393 1.097 . . . . 0.0 109.376 -167.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.8 t -121.87 151.12 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.58 168.92 19.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -103.16 159.2 15.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.549 0.74 . . . . 0.0 109.168 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.1 138.71 33.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -155.35 149.25 25.51 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.08 -165.62 24.27 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 121.537 -0.364 . . . . 0.0 112.492 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.9 mt 59.69 148.36 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 C-N-CA 125.589 1.555 . . . . 0.0 114.177 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.35 98.52 0.33 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 124.366 3.378 . . . . 0.0 112.096 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.537 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 0.0 OUTLIER 48.69 9.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.374 1.87 . . . . 0.0 115.971 176.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -156.04 155.58 32.91 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 120.302 1.41 . . . . 0.0 113.036 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.3 t -166.38 165.03 17.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.057 1.343 . . . . 0.0 108.07 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -144.84 162.51 36.62 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.07 -21.12 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -80.71 -24.32 38.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.777 0.262 . . . . 0.0 111.49 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -84.13 -33.97 24.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.003 0.365 . . . . 0.0 110.34 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.31 -36.77 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 O-C-N 122.374 -0.204 . . . . 0.0 110.777 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.13 -27.53 62.68 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.028 0.376 . . . . 0.0 110.043 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.44 63.87 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.864 0.466 . . . . 0.0 111.625 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -88.23 -22.12 24.14 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 8.2 mp -102.99 60.3 0.78 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m -57.93 5.65 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.258 1.823 . . . . 0.0 115.656 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -137.19 6.97 2.86 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.982 0.81 . . . . 0.0 111.403 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 67.5 m -113.67 -179.26 3.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.112 0.565 . . . . 0.0 111.251 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 m -136.94 123.24 20.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.545 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.1 mp -83.39 41.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 124.954 1.302 . . . . 0.0 109.957 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.1 t60 60.16 -18.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.776 1.63 . . . . 0.0 113.66 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.6 m-20 -155.41 -37.41 0.09 Allowed 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.839 1.656 . . . . 0.0 109.067 176.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.24 1.38 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 124.208 0.908 . . . . 0.0 111.247 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.7 12.2 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.049 1.34 . . . . 0.0 110.503 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.57 18.66 7.43 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.115 0.566 . . . . 0.0 111.084 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.28 6.0 4.62 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.46 161.21 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.285 0.634 . . . . 0.0 109.93 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -154.72 156.0 35.59 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.133 0.573 . . . . 0.0 110.456 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -148.18 164.3 34.36 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.432 HG12 ' H ' ' A' ' 56' ' ' GLU . 1.3 mm -107.35 10.45 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 122.04 0.924 . . . . 0.0 111.482 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -166.52 172.98 10.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 127.121 2.169 . . . . 0.0 107.435 -174.71 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.7 p -148.2 173.08 13.35 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 118.654 0.661 . . . . 0.0 111.432 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -22.13 53.66 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.024 0.529 . . . . 0.0 111.89 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.87 -24.89 39.74 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 173.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.46 -15.63 0.02 OUTLIER Glycine 0 CA--C 1.532 1.104 0 N-CA-C 116.395 1.318 . . . . 0.0 116.395 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 40.4 mmt180 49.69 56.08 8.4 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 119.574 1.687 . . . . 0.0 111.488 176.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.467 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 25.2 mp0 -54.27 -32.66 56.76 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.504 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 44.9 t 128.19 144.27 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 128.56 2.744 . . . . 0.0 107.713 178.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 161.28 -164.38 34.92 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.145 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' H ' HG12 ' A' ' 46' ' ' ILE . 98.0 mt-10 -136.74 -152.41 0.45 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.125 1.37 . . . . 0.0 109.185 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.9 172.43 15.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.252 0.548 . . . . 0.0 111.146 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CG ' ' HG3' ' A' ' 93' ' ' MET . 97.2 m-85 -141.7 161.55 37.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.7 t -144.71 104.69 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.15 147.33 46.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.96 -175.58 3.39 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.189 0.519 . . . . 0.0 111.547 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.73 -33.75 6.91 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.425 -174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -151.77 170.07 20.67 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.225 1.013 . . . . 0.0 111.783 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.16 -28.11 67.65 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.46 0.704 . . . . 0.0 111.025 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.26 -28.72 64.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.7 -0.625 . . . . 0.0 110.454 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -74.97 -38.09 61.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.2 -0.313 . . . . 0.0 110.611 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -39.89 82.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.26 -45.12 95.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.142 0.428 . . . . 0.0 110.335 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.0 mtm -67.13 -28.72 68.38 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.021 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.28 -14.32 58.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.011 0.524 . . . . 0.0 111.594 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.52 -7.58 33.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 27.61 4.18 Favored 'General case' 0 C--N 1.337 0.045 0 CA-C-N 118.586 0.63 . . . . 0.0 110.597 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -46.38 -10.37 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 -177.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -151.46 18.95 0.73 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 120.397 1.453 . . . . 0.0 112.072 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -71.7 -161.51 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.745 0.783 . . . . 0.0 112.377 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 t -143.16 149.03 37.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.086 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.6 mtt -73.11 -11.52 60.57 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 122.496 0.319 . . . . 0.0 110.356 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.77 -13.11 3.41 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.608 -0.551 . . . . 0.0 111.77 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -153.48 -3.85 0.2 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 117.912 0.856 . . . . 0.0 113.027 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -150.86 144.72 25.2 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.265 0.938 . . . . 0.0 112.412 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' CE2' ' C4 ' ' B' ' 3' ' ' ' G' . 2.7 t80 -64.68 125.44 24.76 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 127.528 2.331 . . . . 0.0 110.999 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.7 mm -121.06 161.21 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -148.09 154.44 40.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.093 0.473 . . . . 0.0 111.1 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.37 145.58 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -146.67 152.24 38.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -75.09 145.81 41.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.966 0.412 . . . . 0.0 111.391 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -138.41 -174.26 3.76 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.021 0.529 . . . . 0.0 110.402 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.402 ' HA ' ' C ' ' A' ' 9' ' ' GLU . 10.0 p80 -155.35 16.53 0.4 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.612 0.765 . . . . 0.0 111.676 -177.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 76.52 -28.82 0.18 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.341 1.456 . . . . 0.0 113.176 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -68.24 -38.73 82.15 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.4 0.545 . . . . 0.0 109.838 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -70.7 -33.74 71.21 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.411 ' HG3' ' CG ' ' A' ' 58' ' ' PHE . 63.0 ttp -59.58 -49.76 76.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.39 -28.25 68.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.843 0.457 . . . . 0.0 111.503 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.73 -19.44 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.4 0.68 . . . . 0.0 112.184 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 p -121.35 -24.62 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 118.004 0.365 . . . . 0.0 111.723 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.79 -3.37 21.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.905 0.775 . . . . 0.0 111.485 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -124.39 5.67 8.37 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.156 0.582 . . . . 0.0 112.436 -176.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -151.34 -4.53 0.28 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.9 m 52.59 11.99 0.22 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.8 -175.95 46.36 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo . . . . . 0 C--O 1.25 1.121 0 C-N-CA 124.209 3.272 . . . . 0.0 110.999 177.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.537 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -2.984 1 N19-C1'-C2' 120.321 4.326 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.523 " H4'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.636 0 O4'-C1'-N19 111.861 3.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.402 ' C4 ' ' CE2' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.421 -2.678 2 O4'-C1'-N19 113.357 5.157 OUTLIER-DELTA 0.011 1b . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 1 O4'-C1'-N19 112.382 4.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 O4'-C1'-N19 110.714 2.514 . 0.354 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.099 0 O4'-C1'-N19 111.438 3.238 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttm . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.5 mmt -65.41 163.31 15.98 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 122.759 0.424 . . . . 0.0 111.163 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.64 -11.36 60.81 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.576 0.351 . . . . 0.0 110.949 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.81 173.05 37.68 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.69 158.04 43.65 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.707 2.938 . . . . 0.0 110.782 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -158.99 177.73 10.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.982 0.513 . . . . 0.0 110.556 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.56 23.53 0.84 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 112.21 -0.356 . . . . 0.0 112.21 -177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.31 176.11 36.14 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -146.33 16.45 1.33 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.812 0.445 . . . . 0.0 111.968 -172.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.78 175.56 24.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 3.8 m-30 -82.56 42.49 0.77 Allowed 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.781 0.832 . . . . 0.0 109.918 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.77 149.39 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -138.76 163.31 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 111.353 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -99.02 159.61 14.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.33 139.77 35.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -149.85 149.81 31.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' HA2' ' N1 ' ' B' ' 3' ' ' ' G' . . . 148.33 -178.33 25.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.519 173.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.1 mt 61.33 162.02 0.11 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 125.809 1.644 . . . . 0.0 114.135 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.34 79.16 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.458 1 C-N-CA 126.478 4.785 . . . . 0.0 114.54 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.524 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 6.1 m95 53.69 0.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 177.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -151.97 161.72 42.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 120.831 1.651 . . . . 0.0 112.808 -176.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -160.2 -177.35 6.21 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.873 1.269 . . . . 0.0 108.617 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.3 p -143.35 165.43 27.53 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.398 0.545 . . . . 0.0 111.025 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.33 -19.53 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.12 -29.32 24.93 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.109 0.413 . . . . 0.0 111.195 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -79.06 -32.61 44.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.066 0.394 . . . . 0.0 110.227 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -74.88 -37.03 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.464 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -72.17 -26.88 62.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.732 0.696 . . . . 0.0 110.579 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -28.69 62.15 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.271 0.229 . . . . 0.0 110.589 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -84.44 -28.17 27.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.852 0.461 . . . . 0.0 112.09 -174.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -89.28 60.14 5.17 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.2 p -50.42 146.42 5.38 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.134 0.573 . . . . 0.0 110.83 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.33 -10.08 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.179 1.792 . . . . 0.0 114.425 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.78 178.9 5.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 119.52 1.055 . . . . 0.0 110.08 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -140.55 109.26 5.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -69.75 141.83 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -46.55 -36.19 6.55 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.216 1.006 . . . . 0.0 113.412 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -153.16 9.79 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.324 0.65 . . . . 0.0 111.172 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 75.97 -121.2 6.17 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 -177.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.14 3.14 0.46 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.063 0.945 . . . . 0.0 112.546 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -126.42 15.15 7.71 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.757 0.823 . . . . 0.0 110.842 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.71 -2.42 3.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.23 163.79 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -150.58 161.04 43.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.294 172.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -147.33 172.6 13.63 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.733 0.813 . . . . 0.0 109.184 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.3 mt -129.63 138.93 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -159.15 175.86 12.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.934 0.494 . . . . 0.0 110.727 -173.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.1 p -145.52 177.47 8.84 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.072 0.949 . . . . 0.0 109.616 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.05 -25.41 63.7 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 122.505 0.322 . . . . 0.0 111.167 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -60.71 -26.8 67.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.658 0.783 . . . . 0.0 112.427 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.67 21.47 61.74 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.543 -0.587 . . . . 0.0 113.814 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -69.79 -16.68 63.33 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.41 1.105 . . . . 0.0 112.757 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 40.43 57.51 2.5 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.194 0.997 . . . . 0.0 111.788 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 m -46.95 155.9 0.24 Allowed 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 125.422 1.489 . . . . 0.0 113.802 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.96 -11.72 84.9 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 175.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.6 135.57 56.89 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.22 179.39 7.46 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.404 0.621 . . . . 0.0 112.352 -170.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -138.39 163.8 30.96 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.169 0.988 . . . . 0.0 109.44 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.4 t -145.54 119.27 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -81.66 150.75 27.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.7 -171.77 2.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.909 0.385 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.96 -32.05 5.46 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.478 -175.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -152.37 170.15 20.79 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.414 1.107 . . . . 0.0 111.881 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 34.6 tt0 -59.78 -29.22 68.06 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.344 0.657 . . . . 0.0 110.955 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.25 -26.48 63.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.784 -0.573 . . . . 0.0 110.617 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -78.35 -37.62 43.92 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.492 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -39.45 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.76 -46.64 88.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 110.128 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.67 -28.9 68.82 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.33 62.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.349 0.522 . . . . 0.0 111.083 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 mt -84.69 -14.75 47.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.907 0.483 . . . . 0.0 111.467 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.61 -7.25 37.13 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 25.12 4.34 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-O 121.534 0.683 . . . . 0.0 110.445 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -45.11 -12.81 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -148.67 25.13 0.96 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.488 1.494 . . . . 0.0 112.646 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.36 -168.77 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.769 0.713 . . . . 0.0 112.118 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.0 p -141.03 1.22 1.63 Allowed 'General case' 0 C--N 1.335 -0.044 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 57.6 mtt 53.08 10.93 0.19 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.696 0.68 . . . . 0.0 111.433 -171.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.76 6.07 88.46 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.016 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -144.1 -11.0 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.749 1.275 . . . . 0.0 114.269 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.507 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 12.4 tpt180 -154.44 -122.67 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.253 0.933 . . . . 0.0 110.889 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.507 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.4 t80 -162.88 117.51 1.73 Allowed 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.7 mm -121.57 157.18 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -144.65 157.33 44.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.189 0.519 . . . . 0.0 111.438 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.8 153.88 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -153.17 149.58 28.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -73.25 149.72 42.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.112 -0.368 . . . . 0.0 110.113 -175.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 t -140.08 -171.36 3.17 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 3.3 p80 -141.84 -44.1 0.35 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.084 -175.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 133.04 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 128.588 2.755 . . . . 0.0 112.795 171.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.9 m -69.0 -35.74 77.02 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.311 0.505 . . . . 0.0 110.26 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.72 -37.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.1 ttp -63.13 -35.46 80.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.569 0.348 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.82 -27.46 60.3 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.245 -0.284 . . . . 0.0 111.388 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -77.41 -68.38 0.62 Allowed 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.93 -18.85 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -19.03 57.31 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.027 0.531 . . . . 0.0 111.364 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -139.12 12.44 2.62 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.142 0.977 . . . . 0.0 112.238 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -137.39 11.67 3.0 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.109 0.413 . . . . 0.0 112.014 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.4 t -62.45 165.0 6.6 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.776 0.322 . . . . 0.0 110.433 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.18 172.7 37.49 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.929 3.753 . . . . 0.0 113.107 -177.847 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.504 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 N19-C1'-C2' 119.597 3.873 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.524 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.409 -3.651 1 P-O3'-C3' 124.95 4.375 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.43 HO2' ' P ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 C1'-O4'-C4' 106.024 -3.974 OUTLIER-EPSILON 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.43 ' P ' HO2' ' B' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.744 1 C5'-C4'-C3' 108.853 -4.432 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.421 H5'' " H3'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 1 C5'-C4'-C3' 107.947 -5.035 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 1 C5'-C4'-C3' 108.862 -4.425 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.1 mpt? 53.51 15.84 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.497 1.119 . . . . 0.0 113.187 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.6 tp -154.07 -19.19 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.813 0.445 . . . . 0.0 110.834 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.78 175.86 37.94 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.55 171.48 18.07 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.15 3.233 . . . . 0.0 110.825 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -141.81 10.1 1.99 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.208 0.603 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.73 177.68 47.43 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.91 27.54 26.04 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -127.93 23.63 6.12 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.463 0.632 . . . . 0.0 112.245 -171.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.3 171.97 23.71 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.2 m-85 -88.72 45.35 1.28 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.789 0.836 . . . . 0.0 109.773 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.55 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.95 156.57 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.35 0.595 . . . . 0.0 111.506 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -87.25 158.6 19.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.65 133.98 29.77 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -145.45 145.71 31.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.419 ' HA2' ' N1 ' ' B' ' 3' ' ' ' G' . . . 138.59 -174.09 22.21 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.194 -0.527 . . . . 0.0 114.201 173.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt 62.91 165.83 0.11 Allowed Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 125.164 1.386 . . . . 0.0 113.394 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.6 60.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.609 1 C-N-CA 127.384 5.389 . . . . 0.0 116.68 174.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.426 ' CH2' ' C4 ' ' B' ' 1' ' ' ' A' . 1.1 m95 58.56 9.24 1.04 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.28 1.432 . . . . 0.0 114.328 174.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.5 p -158.91 158.78 34.03 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.309 0.504 . . . . 0.0 111.294 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -163.83 -174.84 3.81 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.725 1.21 . . . . 0.0 109.433 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -141.5 167.25 22.62 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.688 0.395 . . . . 0.0 110.95 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.77 -20.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.066 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.17 -26.47 36.0 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.086 0.403 . . . . 0.0 111.683 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -82.62 -35.89 26.6 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.197 0.453 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.98 -34.81 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.198 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.78 -25.68 49.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.468 0.576 . . . . 0.0 110.914 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -25.0 64.24 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 172.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -93.59 -21.4 19.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.125 0.57 . . . . 0.0 111.741 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -109.41 52.38 0.72 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.4 p -62.77 7.8 0.07 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.693 1.597 . . . . 0.0 114.954 -173.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -129.79 -1.22 4.8 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.31 0.504 . . . . 0.0 111.125 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.87 -177.19 5.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.527 0.731 . . . . 0.0 110.728 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -123.45 -16.05 6.94 Favored 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 123.217 0.607 . . . . 0.0 111.413 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.478 ' C ' ' H ' ' A' ' 38' ' ' ASP . 7.8 mt 54.07 26.04 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.551 1.14 . . . . 0.0 111.778 173.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 61.93 -19.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.606 1.562 . . . . 0.0 114.209 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.9 m-20 -155.15 -28.13 0.11 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.491 1.116 . . . . 0.0 111.435 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 -1.39 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 117.677 0.217 . . . . 0.0 113.283 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' A' ' 41' ' ' ALA . . . -173.33 3.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.064 1.346 . . . . 0.0 110.88 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' A' ' 40' ' ' ALA . . . -134.66 16.4 3.62 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.16 0.73 14.62 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 175.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.61 156.01 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.985 0.914 . . . . 0.0 109.718 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -151.27 151.22 31.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.193 0.597 . . . . 0.0 109.542 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -147.5 158.8 44.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 109.596 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.89 85.45 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -150.35 -176.71 5.58 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.455 1.102 . . . . 0.0 108.778 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -137.45 162.11 34.53 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.78 0.8 . . . . 0.0 112.153 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 6.26 3.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.272 1.429 . . . . 0.0 113.492 -177.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -145.94 23.16 1.39 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.378 0.609 . . . . 0.0 110.662 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.49 -133.81 1.98 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.68 -173.45 4.52 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.301 1.04 . . . . 0.0 109.301 -175.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -51.38 137.29 23.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.4 m -141.83 20.07 2.15 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.275 0.63 . . . . 0.0 111.215 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.51 17.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.388 -0.673 . . . . 0.0 112.617 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 51.33 -137.78 1.14 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.094 0.947 . . . . 0.0 111.356 -172.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.92 178.24 9.88 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -148.35 169.8 19.36 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.758 0.823 . . . . 0.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.3 t -147.1 116.65 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -79.14 150.83 31.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mt -129.77 -172.73 2.84 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.568 0.223 . . . . 0.0 110.69 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.66 -22.54 7.65 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.01 -0.884 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -158.56 173.4 16.67 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 119.045 1.422 . . . . 0.0 111.958 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.3 tt0 -58.71 -31.2 68.04 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.804 0.842 . . . . 0.0 110.438 174.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.0 -30.39 69.63 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 121.943 -0.473 . . . . 0.0 110.693 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.26 -39.38 54.53 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.303 -0.248 . . . . 0.0 110.701 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.6 -39.55 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtm -68.85 -28.69 66.95 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -27.74 62.36 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.392 0.542 . . . . 0.0 110.93 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -80.37 -15.48 56.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 122.836 0.455 . . . . 0.0 111.715 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.47 -8.85 36.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 24.97 3.76 Favored 'General case' 0 C--O 1.228 -0.079 0 CA-C-O 121.324 0.583 . . . . 0.0 110.713 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -48.09 -5.63 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -152.41 20.42 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.998 1.272 . . . . 0.0 113.103 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -70.76 -162.6 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 112.118 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 t -144.19 179.89 6.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.552 0.741 . . . . 0.0 110.997 -174.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtt -125.51 -7.51 6.9 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.548 0.739 . . . . 0.0 111.348 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.62 -4.03 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.343 -0.698 . . . . 0.0 113.722 175.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -147.33 -20.92 0.39 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.399 1.099 . . . . 0.0 112.099 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -158.73 153.72 25.13 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' CE1' ' C4 ' ' B' ' 3' ' ' ' G' 0.267 0.4 OUTLIER -90.17 159.94 16.49 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -172.543 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mm -126.64 162.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -175.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -147.46 159.09 44.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.442 0.639 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.11 152.32 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -154.92 150.07 27.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -71.81 149.69 45.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.397 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.3 t -141.21 -167.47 2.4 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.486 0.315 . . . . 0.0 111.032 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 3.2 p80 -145.29 -39.19 0.25 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.697 -173.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 126.38 -22.93 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.664 2.786 . . . . 0.0 112.299 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.8 m -69.68 -39.26 77.07 Favored 'General case' 0 C--O 1.23 0.039 0 CA-C-N 118.292 0.497 . . . . 0.0 110.581 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.4 -38.61 78.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -60.0 -46.58 89.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.96 -28.77 68.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -70.51 -57.16 5.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.742 0.417 . . . . 0.0 111.883 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.92 -23.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 119.611 -0.233 . . . . 0.0 111.319 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -8.01 13.37 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.297 0.499 . . . . 0.0 110.923 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -138.96 11.33 2.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.175 0.99 . . . . 0.0 111.412 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -149.79 36.87 0.71 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.943 0.497 . . . . 0.0 110.662 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.0 p -51.83 151.42 3.48 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.483 0.713 . . . . 0.0 112.166 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . 169.92 -47.94 0.21 Allowed Glycine 0 CA--C 1.533 1.167 0 CA-C-O 118.441 -1.2 . . . . 0.0 113.803 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 68.5 Cg_endo . . . . . 0 C--O 1.252 1.177 0 C-N-CA 122.506 2.137 . . . . 0.0 111.584 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.573 " H1'" " H4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.551 1 C5'-C4'-C3' 109.255 -4.163 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.573 " H4'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.424 3 P-O3'-C3' 127.052 6.127 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.466 ' C4 ' ' CE1' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.419 -2.821 1 O4'-C1'-N19 112.605 4.405 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.501 ' C8 ' H5'' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.704 1 C3'-C2'-C1' 105.16 4.066 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.572 -3.128 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 P-O3'-C3' 123.048 2.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 N--CA 1.476 0.825 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 mpp? 52.83 7.84 0.08 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.797 1.639 . . . . 0.0 115.413 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.05 -4.18 5.68 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.04 0.836 . . . . 0.0 110.853 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.15 175.08 27.67 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.94 172.89 14.99 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 124.298 3.332 . . . . 0.0 110.688 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -139.47 11.72 2.53 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.953 0.501 . . . . 0.0 111.222 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.25 -9.3 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.908 -0.384 . . . . 0.0 112.44 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.19 162.18 37.38 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -149.54 12.16 0.8 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.089 0.556 . . . . 0.0 111.35 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.19 168.21 34.03 Favored Glycine 0 CA--C 1.526 0.777 0 O-C-N 121.862 -0.523 . . . . 0.0 112.225 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 -89.18 54.48 2.98 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 124.037 0.935 . . . . 0.0 110.153 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.78 153.42 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.86 165.42 26.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.184 0.516 . . . . 0.0 110.696 176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -102.54 157.82 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' C ' ' HD2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -138.71 140.68 38.83 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.67 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' HD2' ' C ' ' A' ' 15' ' ' LEU . 1.2 mpt_? -145.17 147.57 32.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.83 -173.84 22.97 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.718 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.8 mt 63.43 162.65 0.12 Allowed Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.672 1.589 . . . . 0.0 113.797 177.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 63.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.525 1 C-N-CA 127.117 5.211 . . . . 0.0 116.581 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.461 ' CH2' " H1'" ' B' ' 1' ' ' ' A' . 0.5 OUTLIER 55.58 8.29 0.3 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 113.653 174.195 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -160.7 156.29 25.22 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.375 0.67 . . . . 0.0 109.924 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -161.28 -179.15 7.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 109.981 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -139.11 162.92 33.76 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.018 0.527 . . . . 0.0 110.299 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -67.18 -16.81 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.75 -27.02 27.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.042 0.383 . . . . 0.0 111.593 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -80.48 -34.85 35.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.51 -39.42 70.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.773 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -71.75 -24.6 61.8 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.063 0.847 . . . . 0.0 110.866 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -25.44 63.74 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.445 0.298 . . . . 0.0 110.982 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -92.91 -25.87 17.86 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.467 0.307 . . . . 0.0 111.724 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 33' ' ' ASP . 2.0 mm? -106.44 50.43 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -64.79 20.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.217 1.407 . . . . 0.0 113.368 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 31' ' ' LEU . 24.6 m-20 -132.59 9.57 4.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.478 0.711 . . . . 0.0 110.857 -178.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.9 p -122.35 -166.14 1.37 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.896 0.478 . . . . 0.0 111.201 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.94 4.43 5.36 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' C ' ' H ' ' A' ' 38' ' ' ASP . 2.7 mp 41.85 34.64 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 125.217 1.407 . . . . 0.0 111.751 -175.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.4 t60 62.17 -26.92 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.302 1.841 . . . . 0.0 114.25 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.5 m-20 -159.3 -22.93 0.07 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.298 1.439 . . . . 0.0 111.182 175.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.68 125.83 0.24 Allowed Glycine 0 C--N 1.338 0.661 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.8 11.91 0.16 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.821 0.848 . . . . 0.0 112.908 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 16.31 1.8 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.037 0.935 . . . . 0.0 111.392 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.09 4.63 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.82 160.54 5.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -151.24 156.77 41.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.57 0.348 . . . . 0.0 110.353 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -145.98 170.61 16.28 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.054 0.942 . . . . 0.0 108.684 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 HD11 ' CE2' ' A' ' 58' ' ' PHE . 45.6 mt -133.29 -19.63 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.09 0 CA-C-O 120.854 0.359 . . . . 0.0 111.806 -173.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -173.51 0.08 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.197 0.999 . . . . 0.0 111.379 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.0 p -140.34 167.21 22.69 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.776 0.798 . . . . 0.0 112.692 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 7.09 4.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.432 1.493 . . . . 0.0 112.88 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -147.57 17.46 1.16 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.087 0.555 . . . . 0.0 111.259 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.38 -138.11 3.7 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -147.67 -68.37 0.24 Allowed 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 122.557 0.343 . . . . 0.0 110.115 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -150.86 158.39 44.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 121.135 0.493 . . . . 0.0 111.545 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.2 p -161.78 9.56 0.07 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.32 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.58 1.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 CA-C-O 119.415 -0.658 . . . . 0.0 113.869 -176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 62.05 -117.61 0.62 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.418 1.109 . . . . 0.0 112.238 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.23 -179.16 7.46 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -170.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.457 ' CE2' HD11 ' A' ' 46' ' ' ILE . 98.1 m-85 -139.56 168.57 19.52 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.792 1.237 . . . . 0.0 109.144 174.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -146.36 109.81 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -74.46 152.56 39.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.68 -176.56 4.08 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.53 -26.68 7.13 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.787 -1.007 . . . . 0.0 114.308 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.4 m -150.4 167.93 25.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.859 1.33 . . . . 0.0 112.138 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.4 tt0 -59.28 -31.46 69.13 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.891 0.476 . . . . 0.0 110.326 175.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.55 -26.31 66.24 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.444 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -77.08 -41.19 43.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.168 -0.332 . . . . 0.0 110.269 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.37 -40.27 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.06 -44.76 95.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 58.9 mtm -70.35 -26.26 63.65 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.93 -29.71 64.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.582 0.628 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.76 -16.27 55.9 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.308 0.643 . . . . 0.0 111.577 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.38 -8.13 30.41 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 25.96 4.56 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 118.489 0.586 . . . . 0.0 110.458 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' HA ' ' HB ' ' A' ' 85' ' ' VAL . 24.2 p-10 -45.21 -17.2 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -140.85 21.85 2.3 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.71 1.595 . . . . 0.0 112.517 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.69 -168.2 0.17 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.679 0.752 . . . . 0.0 112.392 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.4 m -139.76 179.43 6.59 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.884 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.5 mtt -131.38 -31.07 1.65 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 123.934 0.894 . . . . 0.0 110.178 175.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 81' ' ' ARG . . . 139.29 139.77 3.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.7 m80 51.97 -1.27 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.37 1.468 . . . . 0.0 114.598 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.502 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 8.8 tpt180 -162.32 172.38 15.75 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.007 0.923 . . . . 0.0 109.325 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.502 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -134.81 167.05 21.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -172.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mm -128.76 161.42 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.518 0.727 . . . . 0.0 110.093 -167.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' CG ' ' H22' ' B' ' 3' ' ' ' G' . 25.4 mm-40 -143.41 147.58 34.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.41 0.684 . . . . 0.0 110.449 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.411 ' HB ' ' HA ' ' A' ' 74' ' ' ASP . 3.3 t -139.66 154.25 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.364 0.665 . . . . 0.0 110.244 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -152.52 155.2 36.99 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.34 143.84 31.91 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 121.922 -0.486 . . . . 0.0 111.643 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.7 t -132.63 -177.39 4.46 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.916 -0.49 . . . . 0.0 111.818 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -146.09 6.4 1.01 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.543 0.737 . . . . 0.0 112.092 -174.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 81.14 -28.33 0.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.316 1.447 . . . . 0.0 113.006 171.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.5 m -69.64 -40.0 76.78 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.488 0.586 . . . . 0.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.06 -41.63 86.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.429 ' HG2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 tmm? -58.78 -45.96 88.64 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.377 0.423 . . . . 0.0 110.031 -177.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.83 -28.92 68.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -72.82 -56.23 5.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.42 -22.3 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 122.102 -0.374 . . . . 0.0 111.258 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.71 -5.1 14.4 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.213 0.461 . . . . 0.0 110.94 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -134.74 6.81 3.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.734 0.814 . . . . 0.0 112.338 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -143.8 14.14 1.72 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.831 0.453 . . . . 0.0 111.546 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.4 p -59.74 159.09 9.22 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.986 0.422 . . . . 0.0 111.398 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.79 177.13 43.67 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 C--O 1.252 1.175 0 C-N-CA 124.148 3.232 . . . . 0.0 111.164 179.44 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.485 " H1'" " H1'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.722 2 C5'-C4'-C3' 107.999 -5.0 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.485 " H1'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.228 3 O4'-C1'-N19 114.645 6.445 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.418 ' H22' ' CG ' ' A' ' 84' ' ' GLU . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 O4'-C1'-N19 111.607 3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.443 ' N7 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.972 0 O4'-C1'-N19 111.694 3.494 . 0.389 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.443 " H1'" ' N7 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.65 1 O4'-C1'-N19 112.975 4.775 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.945 0 N19-C1'-C2' 107.271 -3.83 . 0.012 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.271 0.081 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -145.74 -6.49 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.5 mt 45.63 23.84 0.17 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.371 1.468 . . . . 0.0 114.663 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.99 175.56 47.56 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.764 -0.585 . . . . 0.0 111.768 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.04 170.19 20.95 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.113 3.208 . . . . 0.0 111.186 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -145.38 170.5 16.21 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.117 0.967 . . . . 0.0 109.222 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.04 1.07 0.04 OUTLIER Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.659 -0.523 . . . . 0.0 113.231 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.75 -177.04 47.7 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 118.372 1.086 . . . . 0.0 112.153 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -155.13 -3.51 0.15 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.588 0.755 . . . . 0.0 111.805 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.67 -171.7 43.85 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 67.13 26.86 8.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.652 1.581 . . . . 0.0 107.882 -174.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.88 150.14 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.97 173.41 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 122.102 0.953 . . . . 0.0 110.703 173.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -123.08 139.92 53.57 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.473 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 HD12 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -124.21 144.38 49.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.992 0.517 . . . . 0.0 110.503 -169.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.552 ' NH2' ' H21' ' B' ' 2' ' ' ' G' . 0.0 OUTLIER -151.55 92.68 1.79 Allowed 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 165.77 35.72 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.294 -1.432 . . . . 0.0 113.808 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 17.2 mt 69.42 164.45 0.13 Allowed Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.737 1.615 . . . . 0.0 112.49 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 93.6 Cg_exo -47.87 -167.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 1 C-N-CA 126.71 4.94 . . . . 0.0 115.423 172.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.33 1.01 0.09 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 t -151.06 159.9 44.24 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.893 0.769 . . . . 0.0 111.151 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -158.91 171.37 20.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.148 0.979 . . . . 0.0 109.23 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -143.14 160.46 40.38 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.048 0.539 . . . . 0.0 110.303 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.6 -16.44 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.72 -26.58 29.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.884 0.311 . . . . 0.0 111.596 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.99 -39.27 30.4 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -67.3 -39.59 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -71.41 -26.08 62.61 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.282 0.947 . . . . 0.0 111.447 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -23.83 62.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.659 0.208 . . . . 0.0 110.739 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -88.51 -34.93 17.25 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -83.93 54.56 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 34' ' ' CYS . 22.7 t -56.61 154.09 9.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.482 177.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 59.18 -7.98 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.479 1.912 . . . . 0.0 114.115 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' H ' ' C ' ' A' ' 32' ' ' SER . 63.3 m -86.67 -176.4 5.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.732 0.697 . . . . 0.0 110.379 178.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.1 m -131.32 152.28 50.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.2 mt -122.27 32.52 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 121.56 0.695 . . . . 0.0 110.278 -165.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 t60 63.62 -41.77 0.22 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 113.98 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -151.61 -7.7 0.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.41 1.084 . . . . 0.0 111.75 172.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 96.56 -121.67 7.09 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 4.42 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.893 0.877 . . . . 0.0 112.384 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -122.85 19.34 10.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.352 1.061 . . . . 0.0 110.82 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.18 0.05 4.73 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.05 156.6 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 117.311 0.555 . . . . 0.0 109.559 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -152.65 160.38 43.17 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.599 0.759 . . . . 0.0 109.301 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.03 170.14 16.49 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.18 0.592 . . . . 0.0 109.708 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.9 mt -135.95 59.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.124 0 CA-C-O 121.33 0.586 . . . . 0.0 111.359 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.46 ' CD2' ' HB3' ' A' ' 54' ' ' SER . 0.1 OUTLIER -149.98 -173.16 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.764 -174.39 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 50.5 p -139.41 176.23 8.89 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-O 121.052 0.454 . . . . 0.0 111.002 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -57.52 -17.66 14.92 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.023 0.929 . . . . 0.0 112.897 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -144.78 35.33 1.14 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.04 0.536 . . . . 0.0 110.491 173.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.15 -44.56 2.57 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-O 119.339 -0.701 . . . . 0.0 112.418 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 81.33 11.61 0.79 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.633 1.573 . . . . 0.0 112.816 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' H ' ' HB2' ' A' ' 47' ' ' TYR . 4.0 mp0 -87.64 11.99 13.74 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.46 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 12.7 p -59.15 2.33 0.06 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.75 -1.33 73.91 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.42 137.19 54.45 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.12 -178.49 6.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.437 0.637 . . . . 0.0 112.39 -169.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.501 ' CD2' ' HG3' ' A' ' 93' ' ' MET . 97.4 m-85 -137.33 162.99 32.07 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.146 0.978 . . . . 0.0 108.393 172.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -145.14 110.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.73 149.52 39.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 mt -125.17 -163.97 1.24 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.411 0.284 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -120.36 -20.62 3.56 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.99 -175.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -150.25 168.12 24.97 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 118.887 1.344 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -32.75 71.61 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.306 0.643 . . . . 0.0 109.912 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.78 -29.85 69.91 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.717 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.65 -36.99 57.03 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -70.74 -38.46 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.5 -47.43 84.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.404 0.547 . . . . 0.0 110.195 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.3 mtm -65.71 -28.99 69.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.28 -26.51 61.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.127 0.422 . . . . 0.0 111.632 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.1 mt -82.06 -14.57 55.67 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.314 0.646 . . . . 0.0 111.951 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -68.2 -1.14 5.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -130.38 22.78 5.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 123.305 0.642 . . . . 0.0 110.523 -178.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -48.2 -9.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 28.5 ptt-85 -162.29 21.66 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.227 1.376 . . . . 0.0 113.52 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -72.67 -164.24 0.15 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.321 0.51 . . . . 0.0 110.783 174.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 79' ' ' GLY . 78.6 p -119.76 -0.14 10.78 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -163.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 50.3 ttm 64.11 -24.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.937 1.295 . . . . 0.0 112.002 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 136.92 -20.64 3.41 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.775 0.702 . . . . 0.0 111.886 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -149.14 3.27 0.59 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.616 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 9.9 tpt180 -147.58 -132.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.054 0.843 . . . . 0.0 110.697 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.616 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.6 t80 -159.51 123.56 3.83 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 6.1 mm -122.26 168.28 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -148.25 151.49 35.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -145.43 150.33 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.88 161.13 41.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 171.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -68.27 155.91 38.76 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t -135.53 -179.95 5.96 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -154.09 18.96 0.5 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.939 -0.476 . . . . 0.0 111.827 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.6 ttm105 70.23 -35.49 0.32 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.575 1.55 . . . . 0.0 113.595 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.9 m -64.28 -37.73 88.54 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 119.188 0.904 . . . . 0.0 110.133 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -70.13 -41.22 74.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.501 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 60.3 ttp -60.55 -47.58 85.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.49 -28.64 69.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.352 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -79.76 -21.62 44.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.43 -10.66 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 118.323 0.511 . . . . 0.0 111.993 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' A' ' 99' ' ' HIS . 0.5 OUTLIER -62.14 -11.32 13.68 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.754 -0.591 . . . . 0.0 110.546 172.562 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -71.28 26.94 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.661 1.184 . . . . 0.0 111.384 174.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' A' ' 97' ' ' LEU . 22.4 m80 61.64 21.07 11.84 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.647 1.179 . . . . 0.0 112.016 -176.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.7 t 57.27 179.96 0.05 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.527 1.131 . . . . 0.0 112.729 -177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -176.62 -179.72 47.2 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--O 1.252 1.18 0 C-N-CA 124.93 3.753 . . . . 0.0 112.978 178.014 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.497 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 N19-C1'-C2' 119.52 3.825 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.552 ' H21' ' NH2' ' A' ' 16' ' ' ARG . . . . . . . . 0 O4'--C4' 1.41 -3.544 2 O4'-C1'-N19 113.322 5.122 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 1 O4'-C1'-N19 112.272 4.072 . 0.219 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 111.456 3.256 . 0.01 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.527 " H1'" ' C6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.699 1 C4'-C3'-C2' 98.663 -4.037 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.527 ' C6 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.698 1 C3'-C2'-C1' 97.8 -4.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.8 m-30 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 121.328 0.585 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.9 150.5 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 -177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.82 157.83 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 CA-C-O 121.301 0.572 . . . . 0.0 111.4 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.34 161.15 16.5 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.059 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.504 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -140.96 147.3 38.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' H ' HD13 ' A' ' 15' ' ' LEU . 35.6 ttm180 -154.13 147.24 24.65 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.62 -163.16 21.43 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.781 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 31.6 mt 66.62 174.29 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 124.807 1.243 . . . . 0.0 110.545 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 71.1 Cg_exo -51.61 177.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.902 3.068 . . . . 0.0 112.873 173.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -54.2 -18.17 3.58 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.009 -0.432 . . . . 0.0 112.068 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -147.62 160.15 42.98 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.592 0.757 . . . . 0.0 110.186 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 p -155.47 -174.27 4.9 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.086 0.954 . . . . 0.0 109.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.19 164.28 28.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.035 0.445 . . . . 0.0 110.786 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.441 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -65.33 -17.08 21.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 116.368 -0.378 . . . . 0.0 112.007 -175.016 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.78 -25.66 35.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 117.806 0.276 . . . . 0.0 111.276 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.43 -39.21 32.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.04 -39.37 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.876 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -71.14 -26.06 62.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.951 0.796 . . . . 0.0 111.135 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -26.28 63.91 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.59 0.177 . . . . 0.0 110.911 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -83.64 -27.86 28.82 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.67 52.2 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 8.83 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.828 1.651 . . . . 0.0 114.816 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -124.79 5.08 8.11 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.1 0.56 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.6 m -126.08 -177.0 3.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.452 0.701 . . . . 0.0 111.397 -170.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.7 m -130.96 142.4 50.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.4 mp -99.07 43.15 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.15 0.58 . . . . 0.0 109.684 -173.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 t60 63.1 -42.58 0.2 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.184 1.793 . . . . 0.0 113.978 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -148.58 -2.33 0.5 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.724 1.21 . . . . 0.0 110.843 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 98.29 -127.06 9.11 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 5.93 0.16 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.809 0.844 . . . . 0.0 112.201 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -119.07 16.74 13.3 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.402 1.081 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.55 3.08 2.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.61 160.08 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 117.493 0.646 . . . . 0.0 109.669 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -151.7 159.26 44.05 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.597 0.759 . . . . 0.0 109.575 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -149.23 169.95 19.59 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.603 0.761 . . . . 0.0 109.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 58' ' ' PHE . 9.0 mt . . . . . 0 C--O 1.231 0.105 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 46' ' ' ILE . 84.8 m-85 -139.2 165.98 25.74 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.1 t -143.7 110.74 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -72.14 151.89 42.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -131.42 -176.76 4.13 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.4 -33.09 6.06 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.193 -0.782 . . . . 0.0 113.904 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.5 m -151.83 171.26 18.02 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.329 1.064 . . . . 0.0 111.827 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 38.9 tt0 -60.06 -28.9 68.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.295 0.638 . . . . 0.0 110.79 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.78 -28.63 65.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.838 -0.539 . . . . 0.0 110.503 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.85 -37.09 56.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.258 -0.277 . . . . 0.0 110.618 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -39.44 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.46 -46.13 91.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.261 0.482 . . . . 0.0 110.389 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.1 mtm -68.22 -25.84 65.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.29 64.77 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.338 0.517 . . . . 0.0 110.942 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 mt -79.25 -16.34 56.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 111.914 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.96 -6.85 24.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.09 28.32 3.47 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-O 121.302 0.572 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -44.82 -14.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.2 mtp-105 -148.02 21.96 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.111 1.323 . . . . 0.0 112.402 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -71.1 -166.29 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.642 0.656 . . . . 0.0 112.528 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -146.04 153.45 40.75 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.627 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.2 mtt -77.33 -24.31 50.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.6 -16.91 3.76 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.663 -0.521 . . . . 0.0 112.878 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -139.22 -5.72 1.43 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.816 0.808 . . . . 0.0 111.471 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 81' ' ' ARG . 11.9 tpt180 -155.51 163.5 39.93 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.409 ' C ' HD12 ' A' ' 83' ' ' ILE 0.275 0.1 OUTLIER -114.57 163.83 14.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.653 0.661 . . . . 0.0 112.705 -174.284 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 84' ' ' GLU . 4.8 mp -136.16 166.36 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -169.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 83' ' ' ILE . 14.3 mt-10 -142.91 147.56 35.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.636 0.774 . . . . 0.0 110.008 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.27 153.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -156.98 155.96 32.17 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -75.05 153.05 38.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.81 0.338 . . . . 0.0 110.583 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -142.69 -175.69 4.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.11 0.481 . . . . 0.0 111.178 -177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -146.87 9.6 1.01 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.521 0.728 . . . . 0.0 111.53 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 74.9 -25.43 0.2 Allowed 'General case' 0 C--N 1.339 0.144 0 C-N-CA 125.476 1.51 . . . . 0.0 113.873 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.2 m -68.79 -38.96 80.35 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 118.756 0.707 . . . . 0.0 109.743 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.85 -37.5 79.16 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -58.28 -46.69 85.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -69.0 -30.02 68.34 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.456 0.302 . . . . 0.0 111.676 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -68.88 -19.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 112.801 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.0 -20.81 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 118.427 0.558 . . . . 0.0 111.62 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.82 -6.49 27.22 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.637 0.653 . . . . 0.0 111.426 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.0 mttp . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 123.514 0.726 . . . . 0.0 112.029 -177.009 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.565 0.698 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.64 151.41 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -139.68 159.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.123 0.487 . . . . 0.0 110.822 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -89.66 161.4 16.13 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.86 131.21 35.02 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -138.9 163.19 32.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -173.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.85 -141.29 15.51 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 20' ' ' TRP . 12.5 mt 71.13 160.96 0.16 Allowed Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 124.134 0.973 . . . . 0.0 109.847 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.54 30.66 0.24 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.987 3.125 . . . . 0.0 110.945 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.441 ' H ' ' C ' ' A' ' 18' ' ' LEU . 6.3 m0 52.43 27.83 5.3 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.067 0.947 . . . . 0.0 111.848 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.5 t -148.83 128.97 13.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.4 t -165.12 174.01 10.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.543 0.337 . . . . 0.0 110.519 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.65 162.49 33.0 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.17 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -15.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -83.88 -26.19 29.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.835 0.289 . . . . 0.0 111.614 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.06 -34.35 32.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.7 -41.56 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.614 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -67.9 -25.92 65.73 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.786 0.721 . . . . 0.0 110.594 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -29.19 65.89 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.581 0.352 . . . . 0.0 111.478 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -82.87 -26.06 31.94 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -103.4 45.39 0.96 Allowed 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -59.71 -21.06 60.12 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.22 -20.49 32.21 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 119.029 0.831 . . . . 0.0 110.761 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.3 m -85.79 -177.3 6.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.211 1.004 . . . . 0.0 111.084 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 m -138.59 111.6 7.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp -69.36 140.45 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -46.56 -34.7 5.12 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.386 1.075 . . . . 0.0 113.611 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -152.28 9.61 0.49 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.244 0.617 . . . . 0.0 111.094 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.4 -119.98 5.69 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.0 2.48 0.52 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.066 0.946 . . . . 0.0 112.628 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.19 16.24 8.41 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.719 0.808 . . . . 0.0 110.862 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.98 -0.97 4.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.2 159.36 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -152.74 160.06 43.13 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.024 0.53 . . . . 0.0 110.091 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -148.28 172.43 14.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.136 0.974 . . . . 0.0 109.073 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 58' ' ' PHE . 42.5 mt . . . . . 0 CA--C 1.527 0.066 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.526 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.7 m-85 -140.9 168.12 20.55 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.421 0.689 . . . . 0.0 110.517 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.2 t -146.37 118.04 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.148 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -78.34 149.34 33.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -125.85 -172.98 2.73 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.258 0.481 . . . . 0.0 111.912 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.19 -26.11 8.51 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 119.132 -0.815 . . . . 0.0 113.935 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 t -159.85 174.09 14.97 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 118.695 1.248 . . . . 0.0 111.869 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 33.7 tt0 -59.72 -30.69 68.99 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.669 0.787 . . . . 0.0 110.547 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.81 -29.1 67.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.954 -0.466 . . . . 0.0 110.443 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -77.19 -37.01 54.45 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.506 -0.283 . . . . 0.0 110.636 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -69.34 -38.77 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.289 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.34 -47.0 87.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 118.269 0.486 . . . . 0.0 110.289 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.6 mtm -66.56 -28.9 68.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.39 -29.57 65.09 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.317 0.508 . . . . 0.0 110.975 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.6 mt -80.72 -14.35 58.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.181 0.592 . . . . 0.0 111.669 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.79 -8.45 43.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 28.21 3.65 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-O 121.272 0.558 . . . . 0.0 110.356 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -47.14 -10.47 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -155.35 28.02 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.88 1.218 . . . . 0.0 112.722 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.77 -160.53 0.09 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.652 0.739 . . . . 0.0 111.584 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -144.06 148.94 35.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 110.256 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.46 -12.9 61.63 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.87 -13.84 4.42 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -154.47 4.28 0.25 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.56 0.68 . . . . 0.0 112.753 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -150.2 140.49 22.25 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.053 0.842 . . . . 0.0 111.94 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.13 116.76 10.87 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.076 1.751 . . . . 0.0 110.221 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.4 mm -113.02 159.94 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -146.4 157.07 43.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.199 0.523 . . . . 0.0 111.611 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.83 148.26 19.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -148.63 152.77 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -70.85 149.17 47.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 122.036 -0.415 . . . . 0.0 111.09 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -144.25 178.78 7.66 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.387 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -148.06 13.12 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.232 0.613 . . . . 0.0 111.567 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 73.98 -25.83 0.19 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.558 1.543 . . . . 0.0 114.117 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -70.32 -38.92 75.03 Favored 'General case' 0 C--N 1.335 -0.039 0 CA-C-N 118.936 0.789 . . . . 0.0 109.622 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.9 -37.56 81.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.6 ttp -57.14 -47.63 80.66 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.01 -28.3 68.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.729 0.412 . . . . 0.0 111.769 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -73.4 -20.35 60.76 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.76 -17.81 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 118.229 0.468 . . . . 0.0 111.984 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -9.28 19.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.712 0.687 . . . . 0.0 111.469 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 C--N 1.34 0.157 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 177.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 9.9 m-85 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.966 0.412 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.429 HG21 ' CG ' ' A' ' 90' ' ' ARG . 90.9 t -133.59 153.33 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.18 157.88 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.356 0.598 . . . . 0.0 111.03 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.83 162.5 15.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.906 0.882 . . . . 0.0 108.662 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.25 138.08 33.0 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -145.96 164.09 33.12 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.25 -134.58 12.2 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.41 159.07 0.16 Allowed Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 124.162 0.985 . . . . 0.0 110.773 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.21 -179.17 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 124.059 3.173 . . . . 0.0 112.21 171.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -8.94 2.21 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.154 -0.341 . . . . 0.0 111.664 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -152.72 159.16 43.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.474 0.71 . . . . 0.0 110.519 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 t -163.3 -178.77 6.14 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.802 0.441 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -146.93 168.15 22.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.229 0.538 . . . . 0.0 111.228 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.417 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -67.11 -15.1 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.062 -175.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -84.51 -27.13 27.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.905 0.32 . . . . 0.0 111.45 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -80.77 -34.91 33.85 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.006 0.366 . . . . 0.0 110.019 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.35 -41.69 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.71 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.91 -24.59 63.41 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.941 0.791 . . . . 0.0 110.998 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -26.77 63.83 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 122.153 0.181 . . . . 0.0 110.931 174.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.06 -35.94 17.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.48 67.99 7.64 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -53.66 150.64 6.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.867 0.867 . . . . 0.0 111.655 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.47 -3.39 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.447 1.899 . . . . 0.0 114.516 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.2 m -91.42 -176.53 4.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.681 0.673 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.2 m -137.11 152.23 49.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.3 mp -110.0 41.97 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 CA-C-O 121.378 0.608 . . . . 0.0 109.566 -174.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.5 t60 61.14 -27.34 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.199 1.799 . . . . 0.0 114.581 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' ILE . 24.3 m-20 -157.8 -27.23 0.08 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.37 1.468 . . . . 0.0 110.597 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.54 128.69 0.41 Allowed Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -174.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.99 10.8 0.12 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.886 0.874 . . . . 0.0 112.811 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.13 16.99 1.91 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.326 1.05 . . . . 0.0 111.206 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 5.03 2.05 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.01 160.19 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 117.495 0.647 . . . . 0.0 109.724 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.428 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 71.3 m-70 -152.35 160.25 43.34 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.763 0.825 . . . . 0.0 109.114 172.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -146.27 169.48 18.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.437 0.695 . . . . 0.0 109.51 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 58' ' ' PHE . 6.3 mt . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 121.412 0.625 . . . . 0.0 112.457 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CE2' HD11 ' A' ' 46' ' ' ILE . 99.9 m-85 -136.85 162.45 33.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.006 0.923 . . . . 0.0 108.936 172.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -144.0 104.86 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.18 152.84 43.82 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.8 -174.2 3.24 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.1 -22.62 9.11 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 119.117 -0.824 . . . . 0.0 114.044 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 t -160.3 173.36 15.8 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.849 1.325 . . . . 0.0 111.994 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.2 tt0 -59.32 -29.19 67.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.918 0.887 . . . . 0.0 110.524 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.06 -30.0 66.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.959 -0.463 . . . . 0.0 110.533 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -75.86 -36.74 59.48 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.243 -0.285 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.6 -38.03 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.77 -46.65 87.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.268 0.485 . . . . 0.0 110.346 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 51.5 mtm -66.48 -27.19 67.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.3 -30.15 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.087 0.403 . . . . 0.0 111.043 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.7 mt -79.36 -14.48 58.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.084 0.554 . . . . 0.0 111.719 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -68.32 -7.46 31.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 27.68 3.98 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.362 0.528 . . . . 0.0 110.465 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.41 -11.96 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -150.8 23.93 0.77 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.246 1.384 . . . . 0.0 112.286 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -69.39 -164.53 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.583 -0.698 . . . . 0.0 112.161 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -142.71 178.91 7.31 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.388 0.675 . . . . 0.0 111.83 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 56.7 mtt -117.87 -12.63 10.15 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.133 0.573 . . . . 0.0 111.71 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.19 -21.67 4.57 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-O 119.724 -0.487 . . . . 0.0 112.861 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -142.18 -2.61 1.13 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.635 0.717 . . . . 0.0 111.64 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 12.5 tpt180 -155.95 166.65 32.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.275 1.5 p90 -115.39 162.88 16.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.74 0.781 . . . . 0.0 112.538 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 mm -130.55 165.61 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -169.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -147.31 151.17 36.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 110.527 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.61 147.01 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -148.52 157.38 43.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.1 151.53 26.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.753 -0.592 . . . . 0.0 111.245 -173.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -141.26 -179.98 6.43 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.575 0.35 . . . . 0.0 111.677 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -152.29 17.17 0.64 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.342 0.657 . . . . 0.0 112.512 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' CG ' HG21 ' A' ' 12' ' ' VAL . 67.7 mtt85 74.3 -32.66 0.23 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.085 1.754 . . . . 0.0 113.939 174.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 37.1 m -62.64 -39.35 93.58 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 119.003 0.82 . . . . 0.0 110.239 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.01 -39.88 72.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.5 ttp -62.22 -40.97 97.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.535 0.334 . . . . 0.0 110.632 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.64 -28.37 66.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.361 0.265 . . . . 0.0 111.71 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -78.06 -63.74 1.32 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.14 -21.22 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -172.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.63 -12.69 35.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.408 0.549 . . . . 0.0 111.526 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.325 0.65 . . . . 0.0 112.601 -176.56 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.1 m-85 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.044 0.45 . . . . 0.0 109.86 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.42 152.53 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.67 171.71 14.7 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -110.2 162.97 14.08 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 123.278 0.631 . . . . 0.0 109.362 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 138.43 37.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -148.02 148.48 30.76 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 124.974 1.31 . . . . 0.0 107.589 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.7 -177.25 22.59 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.336 -0.459 . . . . 0.0 112.381 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 83' ' ' ILE . 36.9 mt 59.08 154.69 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 125.17 1.388 . . . . 0.0 114.039 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.56 86.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 1 C-N-CA 125.835 4.357 . . . . 0.0 114.22 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 50.79 4.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 176.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -155.46 159.61 39.95 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 121.148 1.795 . . . . 0.0 113.223 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -161.22 171.97 17.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.99 1.316 . . . . 0.0 108.749 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -142.85 166.83 23.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.0 0.52 . . . . 0.0 110.324 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.77 -21.09 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.62 -24.9 33.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 119.691 -0.195 . . . . 0.0 111.152 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -83.79 -38.51 21.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.17 -35.2 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 119.799 -0.143 . . . . 0.0 110.776 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.12 -26.17 56.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.093 0.406 . . . . 0.0 110.326 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -15.99 62.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.235 0.614 . . . . 0.0 111.49 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -108.13 -26.93 10.38 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 7.8 mp -87.27 50.63 2.05 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 173.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.5 m -64.72 9.72 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.466 1.506 . . . . 0.0 113.883 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -134.89 6.28 3.4 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.276 0.63 . . . . 0.0 110.1 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 59.2 m -131.55 177.42 7.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.958 0.903 . . . . 0.0 110.981 -169.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.4 m -131.69 149.88 52.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 36' ' ' ILE . 24.6 mt -116.98 41.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.81 0.814 . . . . 0.0 109.481 -166.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.5 t60 60.62 -19.93 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.914 1.685 . . . . 0.0 113.896 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.6 m-20 -155.24 -36.97 0.09 Allowed 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 125.414 1.486 . . . . 0.0 109.472 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.9 -39.45 2.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 124.166 0.889 . . . . 0.0 111.473 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.69 11.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 110.422 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -127.77 16.63 6.9 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.225 0.61 . . . . 0.0 111.099 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.1 5.08 6.86 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.33 160.31 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 123.236 0.615 . . . . 0.0 109.913 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -151.84 161.62 42.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.725 0.81 . . . . 0.0 109.186 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -146.34 167.97 22.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.449 HD11 ' CE2' ' A' ' 58' ' ' PHE . 9.4 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.095 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.413 0.625 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CE2' HD11 ' A' ' 46' ' ' ILE . 99.6 m-85 -132.18 162.77 30.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.16 0.984 . . . . 0.0 108.7 171.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.5 t -143.64 109.0 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.37 149.1 42.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -127.19 -171.38 2.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.734 0.302 . . . . 0.0 110.52 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.77 -32.19 5.16 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.223 -0.765 . . . . 0.0 113.499 -175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -152.42 170.51 19.94 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.284 1.042 . . . . 0.0 111.734 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.446 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.3 tt0 -59.03 -30.13 67.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.255 0.622 . . . . 0.0 110.557 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.5 -27.11 65.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.965 -0.459 . . . . 0.0 110.79 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.96 -38.03 38.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 122.025 -0.422 . . . . 0.0 110.575 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.77 -41.54 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.6 -45.84 92.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 117.919 0.327 . . . . 0.0 110.496 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.4 mtm -71.37 -27.34 63.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.96 68.61 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.607 0.639 . . . . 0.0 110.209 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.4 mt -78.81 -17.93 54.9 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.846 0.458 . . . . 0.0 111.231 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.3 -7.92 41.48 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 22.63 5.69 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.845 0.748 . . . . 0.0 111.273 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -48.44 -0.46 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -151.65 11.84 0.6 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.272 1.396 . . . . 0.0 111.83 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.99 -163.5 0.11 Allowed 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.702 0.763 . . . . 0.0 112.302 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.3 t -142.11 150.2 40.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.881 0.872 . . . . 0.0 110.071 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.7 mtt -74.79 -9.73 58.83 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.568 0.347 . . . . 0.0 110.497 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.53 -14.0 5.86 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -143.92 -9.01 0.7 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -158.07 145.66 18.32 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 118.925 0.784 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.15 139.06 50.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.383 1.873 . . . . 0.0 111.875 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.461 HD11 HD21 ' A' ' 18' ' ' LEU . 21.8 mm -128.46 165.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 125.263 1.425 . . . . 0.0 108.039 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 83' ' ' ILE . 12.5 mt-10 -143.8 153.41 42.36 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.731 0.301 . . . . 0.0 110.669 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 t -141.98 136.45 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -133.36 151.33 51.84 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -173.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -78.1 144.54 36.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.639 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -140.54 -179.2 5.89 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.737 0.415 . . . . 0.0 110.799 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -149.29 12.09 0.82 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.525 0.73 . . . . 0.0 111.52 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 76.48 -29.42 0.18 Allowed 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.658 1.583 . . . . 0.0 113.417 172.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.8 m -66.63 -38.75 87.56 Favored 'General case' 0 N--CA 1.459 0.023 0 CA-C-N 118.73 0.695 . . . . 0.0 110.124 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.73 -41.15 79.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -59.56 -45.08 92.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -29.97 70.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.478 0.311 . . . . 0.0 111.709 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -73.07 -57.59 3.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.32 -26.07 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.25 -7.43 42.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.785 0.721 . . . . 0.0 111.118 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 C--N 1.34 0.177 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -173.482 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 4.7 m-30 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 121.326 0.584 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -132.08 149.14 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.87 159.15 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-O 121.381 0.61 . . . . 0.0 111.982 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -91.2 158.35 16.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.774 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.79 124.42 16.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -134.59 162.43 32.3 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 -147.57 16.29 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.943 -0.365 . . . . 0.0 112.27 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER 38.82 95.31 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 126.655 1.982 . . . . 0.0 114.555 177.464 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 20' ' ' TRP . 60.9 Cg_endo -69.7 111.38 2.78 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.739 2.959 . . . . 0.0 110.067 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 70.3 m95 -137.6 2.93 2.49 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 126.02 1.728 . . . . 0.0 110.672 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -158.61 165.63 34.01 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.073 0.549 . . . . 0.0 110.395 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.13 -173.19 4.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.891 0.876 . . . . 0.0 109.548 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -109.85 164.09 12.91 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -17.77 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.082 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -79.21 -24.94 42.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.669 0.388 . . . . 0.0 111.455 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.19 -38.72 26.59 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.37 -36.56 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.55 -26.36 61.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.46 0.573 . . . . 0.0 110.619 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -28.98 65.3 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.462 0.305 . . . . 0.0 110.992 176.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -85.46 -30.74 23.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.52 66.66 8.22 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 p -49.99 145.46 5.65 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.44 0.696 . . . . 0.0 111.477 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 56.58 -5.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.42 1.888 . . . . 0.0 114.893 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.7 176.25 8.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 119.306 0.957 . . . . 0.0 110.368 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -139.74 111.47 7.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' ' 36' ' ' ILE . 4.8 mp -72.76 145.08 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -51.16 -20.84 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -146.62 -15.16 0.43 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.463 0.574 . . . . 0.0 112.533 175.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.64 0.15 87.99 Favored Glycine 0 C--N 1.338 0.663 0 CA-C-N 118.494 0.588 . . . . 0.0 113.604 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 41' ' ' ALA . . . -179.9 0.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.971 1.308 . . . . 0.0 111.096 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 40' ' ' ALA . . . -133.81 12.73 4.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.447 0.299 . . . . 0.0 111.559 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.57 0.67 18.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.78 158.7 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -151.97 162.96 40.25 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.282 0.633 . . . . 0.0 109.315 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.92 168.63 23.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.674 0.789 . . . . 0.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.511 HD11 ' CE2' ' A' ' 58' ' ' PHE . 15.7 mt . . . . . 0 C--O 1.231 0.111 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.467 0.175 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 46' ' ' ILE . 74.5 m-85 -139.54 167.7 21.49 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.058 0.543 . . . . 0.0 110.426 175.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 52.2 t -146.79 124.74 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.543 0.737 . . . . 0.0 109.332 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -84.97 150.01 25.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.51 -173.97 3.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.927 0.394 . . . . 0.0 111.189 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.38 -34.06 5.18 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.19 -0.784 . . . . 0.0 113.638 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.1 m -151.42 170.93 18.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 118.314 1.057 . . . . 0.0 111.918 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.5 tt0 -59.62 -29.63 68.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.193 0.597 . . . . 0.0 110.875 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.16 -26.34 64.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.911 -0.493 . . . . 0.0 110.648 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -80.21 -36.67 34.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.371 -0.206 . . . . 0.0 110.667 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -38.85 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.13 -45.99 92.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.173 0.442 . . . . 0.0 110.35 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.9 mtm -67.83 -27.18 66.49 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.52 65.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.432 0.56 . . . . 0.0 110.859 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.4 mt -80.31 -12.97 59.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.204 0.602 . . . . 0.0 111.6 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.41 -5.5 28.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.87 25.36 4.31 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 118.521 0.601 . . . . 0.0 110.409 178.5 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -46.92 -10.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -152.67 29.31 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.286 1.403 . . . . 0.0 111.923 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.3 -166.44 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.002 -0.437 . . . . 0.0 111.026 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 79' ' ' GLY . 50.2 m -138.69 5.76 2.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.7 mtt 52.04 3.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.011 0.823 . . . . 0.0 112.625 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 109.25 -16.18 32.52 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.025 -0.875 . . . . 0.0 113.201 177.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -149.26 5.69 0.65 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.843 1.322 . . . . 0.0 114.367 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.606 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 7.4 tpt180 -143.6 -129.22 0.09 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.373 0.988 . . . . 0.0 111.542 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.606 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -165.29 121.38 1.39 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -123.84 169.77 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -147.9 145.47 28.65 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -143.85 125.5 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -133.13 153.63 51.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.65 155.03 40.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -142.03 -178.25 5.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.075 0.464 . . . . 0.0 110.908 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -145.05 9.34 1.27 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.556 0.743 . . . . 0.0 111.285 -176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 76.71 -24.48 0.22 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.378 1.471 . . . . 0.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -70.59 -40.24 73.37 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.482 0.583 . . . . 0.0 109.706 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -36.62 80.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.2 ttp -58.18 -48.28 80.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.17 -30.59 69.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.638 0.375 . . . . 0.0 111.332 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -67.47 -20.46 65.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.468 0.707 . . . . 0.0 112.773 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.11 -20.09 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.317 0.508 . . . . 0.0 111.539 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.23 -7.22 28.62 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.731 0.696 . . . . 0.0 111.16 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 123.962 0.905 . . . . 0.0 111.959 -178.563 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.9 m-30 . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.18 149.79 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.33 158.41 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 121.377 0.608 . . . . 0.0 111.133 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -90.35 156.47 18.23 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -141.67 144.24 34.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 mtp-105 -149.47 162.4 40.2 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.27 -165.66 12.28 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.486 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 83' ' ' ILE . 58.5 mt 62.08 173.17 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.324 0 C-N-CA 124.053 0.941 . . . . 0.0 111.44 -178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 97.3 Cg_exo -46.62 173.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 124.418 3.412 . . . . 0.0 113.764 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -58.99 -1.9 0.2 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -148.27 166.12 28.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.387 1.075 . . . . 0.0 109.87 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -156.92 176.76 12.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.65 0.38 . . . . 0.0 110.543 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -141.94 158.75 43.41 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.422 0.689 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' HA ' HG22 ' A' ' 27' ' ' VAL . 1.8 m -68.22 -19.36 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.326 0.651 . . . . 0.0 112.654 -173.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.83 -26.04 37.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.377 0.535 . . . . 0.0 111.448 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -80.92 -39.12 26.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 24' ' ' VAL . 27.7 m -67.19 -32.97 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.49 -25.83 38.56 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.696 0.68 . . . . 0.0 111.242 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -25.56 64.83 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.698 0.226 . . . . 0.0 110.84 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.472 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 36.3 t80 -88.55 -31.76 18.49 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.88 0.472 . . . . 0.0 111.885 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -90.98 61.97 4.78 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -54.57 152.14 7.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.373 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.49 -5.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.076 1.75 . . . . 0.0 114.383 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -85.44 -175.71 5.79 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.096 0.862 . . . . 0.0 110.431 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 m -137.45 150.63 47.74 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.452 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.2 mp -112.88 42.07 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-O 121.326 0.584 . . . . 0.0 109.627 -173.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.9 t60 63.12 -42.91 0.2 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.222 1.809 . . . . 0.0 114.121 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -148.89 -2.07 0.48 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.899 1.28 . . . . 0.0 110.767 171.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 99.89 -128.49 9.59 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.219 -1.553 . . . . 0.0 109.219 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.2 5.81 0.14 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.684 0.794 . . . . 0.0 112.164 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -117.53 16.47 14.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.291 1.036 . . . . 0.0 111.144 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.4 2.1 2.5 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.0 p -74.51 163.3 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 117.582 0.691 . . . . 0.0 109.552 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -150.67 152.57 34.16 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.769 0.427 . . . . 0.0 110.307 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.96 161.09 43.4 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.378 1.071 . . . . 0.0 108.673 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.816 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -145.86 169.41 18.62 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.456 1.102 . . . . 0.0 109.207 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -145.26 108.69 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -70.99 152.42 43.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -130.91 -170.89 2.44 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -112.02 -26.1 4.51 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.915 -0.936 . . . . 0.0 113.808 -174.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.8 m -150.12 167.86 25.62 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 118.564 1.182 . . . . 0.0 111.632 -177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.7 tt0 -59.98 -30.29 69.02 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.019 0.527 . . . . 0.0 110.555 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.55 -25.68 64.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.723 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -38.57 47.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.235 -0.291 . . . . 0.0 110.33 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -68.73 -38.73 79.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -59.59 -48.48 81.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.868 0.304 . . . . 0.0 110.192 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.3 mtm -66.67 -29.54 69.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.06 -28.48 63.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.389 0.541 . . . . 0.0 111.442 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.4 mt -80.09 -15.2 57.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.757 0.423 . . . . 0.0 111.716 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -67.04 -5.88 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.472 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.51 24.59 4.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 118.533 0.606 . . . . 0.0 110.54 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.44 -19.87 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -149.96 6.43 0.6 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.306 1.412 . . . . 0.0 112.096 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -80.98 -167.35 1.38 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.229 0.468 . . . . 0.0 111.062 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.2 m -128.55 156.66 42.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.759 -169.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.5 mtt -67.15 -19.91 65.67 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.837 0.455 . . . . 0.0 110.642 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.23 -8.32 5.37 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -148.05 -11.2 0.38 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -152.59 146.75 25.45 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.937 0.789 . . . . 0.0 111.845 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.77 132.03 43.08 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.841 2.056 . . . . 0.0 111.098 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.593 ' CD1' HD21 ' A' ' 18' ' ' LEU . 3.7 mm -124.28 170.14 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.504 ' H ' HG22 ' A' ' 83' ' ' ILE . 11.5 mt-10 -145.16 148.07 33.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.197 0.199 . . . . 0.0 110.596 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.76 153.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 C-N-CA 123.63 0.772 . . . . 0.0 108.976 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -158.83 152.65 23.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -71.72 149.84 45.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 t -139.46 -178.63 5.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.241 0.543 . . . . 0.0 111.316 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -145.63 8.83 1.16 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.855 0.862 . . . . 0.0 111.198 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 77.58 -25.28 0.2 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.403 1.481 . . . . 0.0 113.567 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.3 m -69.17 -39.48 78.72 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 118.703 0.683 . . . . 0.0 110.04 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -68.14 -40.82 82.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -59.56 -46.62 88.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -65.04 -31.59 72.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.533 0.333 . . . . 0.0 111.751 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -70.04 -49.89 46.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.405 ' H ' HG12 ' A' ' 96' ' ' VAL . 5.8 p -80.64 -18.23 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 117.92 0.327 . . . . 0.0 111.256 -176.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.61 -3.38 27.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.564 -0.71 . . . . 0.0 110.833 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 123.611 0.765 . . . . 0.0 112.145 -177.682 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 121.509 0.671 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.0 t -129.61 153.91 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.89 155.71 27.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.404 0.621 . . . . 0.0 111.061 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -88.56 161.24 17.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.907 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 142.86 38.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -144.25 160.33 41.16 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.97 -157.95 19.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 87.76 159.29 0.09 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.896 1.678 . . . . 0.0 111.924 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.88 40.44 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.705 1 C-N-CA 128.05 5.833 . . . . 0.0 117.081 173.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.9 m95 61.65 9.68 2.93 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.386 1.075 . . . . 0.0 113.004 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -159.47 159.05 33.08 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.318 0.647 . . . . 0.0 109.678 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 t -165.29 174.17 10.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.021 0.528 . . . . 0.0 110.371 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.6 m -143.29 159.79 41.69 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.048 0.939 . . . . 0.0 108.636 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.436 HG13 ' H ' ' A' ' 24' ' ' VAL . 1.7 m -64.92 -21.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.6 -25.81 35.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.067 0.394 . . . . 0.0 111.541 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -81.87 -33.53 30.53 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.153 0.433 . . . . 0.0 110.476 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -72.62 -38.79 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.407 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -75.49 -20.52 58.72 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.638 0.654 . . . . 0.0 111.012 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -29.91 67.61 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.243 -0.286 . . . . 0.0 110.522 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -85.72 -19.97 30.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.574 0.35 . . . . 0.0 111.364 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.46 61.89 1.05 Allowed 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.907 0.883 . . . . 0.0 108.89 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 m -53.02 146.3 11.38 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.926 0.491 . . . . 0.0 110.838 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 60.02 -6.03 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.026 1.73 . . . . 0.0 114.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -77.54 -176.97 4.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 119.067 0.849 . . . . 0.0 110.306 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -134.66 155.03 51.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.516 ' C ' ' H ' ' A' ' 38' ' ' ASP . 16.6 mm -114.38 29.37 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.116 0.567 . . . . 0.0 110.088 -170.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.9 t60 59.44 -18.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.148 1.379 . . . . 0.0 113.651 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' ILE . 26.7 m-20 -153.43 -28.39 0.14 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.863 1.265 . . . . 0.0 110.997 177.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.55 -6.78 33.81 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 122.989 0.328 . . . . 0.0 113.356 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -177.65 4.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 125.236 1.414 . . . . 0.0 110.806 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -127.51 17.61 6.96 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -175.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.53 2.18 11.22 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.37 156.8 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.772 0.829 . . . . 0.0 110.199 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -153.57 162.61 41.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.944 0.898 . . . . 0.0 108.901 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -147.98 165.62 30.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.581 0.752 . . . . 0.0 109.2 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 58' ' ' PHE . 21.6 mt . . . . . 0 CA--C 1.527 0.076 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 46' ' ' ILE . 93.3 m-85 -141.6 162.99 34.13 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.028 0.442 . . . . 0.0 110.665 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -145.96 115.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.569 0.748 . . . . 0.0 109.185 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.16 149.06 35.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 mt -126.03 -172.82 2.7 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.726 0.298 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.19 -23.02 8.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.905 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 t -158.87 173.54 16.36 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 118.69 1.245 . . . . 0.0 111.903 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 35.6 tt0 -59.39 -29.99 68.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.888 0.875 . . . . 0.0 110.522 175.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.15 -30.3 68.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.99 -0.444 . . . . 0.0 110.613 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -75.83 -37.77 58.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.323 -0.236 . . . . 0.0 110.58 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.3 p -70.39 -38.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.52 -47.94 83.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.214 0.461 . . . . 0.0 110.05 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.2 mtm -63.69 -27.91 69.54 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -75.46 -29.04 59.51 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.145 -0.347 . . . . 0.0 111.569 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.9 mt -79.86 -12.54 59.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.667 0.387 . . . . 0.0 111.797 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.73 -10.7 59.35 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -132.44 32.54 3.91 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 118.614 0.643 . . . . 0.0 110.688 -179.467 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -52.15 -7.4 0.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 -173.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -158.96 28.48 0.21 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 120.081 1.31 . . . . 0.0 112.414 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.03 -156.42 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.394 0.616 . . . . 0.0 111.315 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.423 ' HA ' HG12 ' A' ' 83' ' ' ILE . 34.3 t -139.73 141.34 36.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.779 0.832 . . . . 0.0 110.225 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 52.3 mtt -71.01 -12.94 61.81 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.38 -7.43 5.95 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -151.86 -7.64 0.22 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -153.95 155.57 35.86 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.434 1.015 . . . . 0.0 112.276 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.11 131.19 44.97 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.595 1.958 . . . . 0.0 109.672 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 77' ' ' SER . 4.2 mm -122.11 167.23 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -150.08 150.68 32.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -147.41 119.71 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -127.92 158.88 36.6 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -77.1 151.39 35.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.951 -0.468 . . . . 0.0 110.796 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 t -142.88 179.37 7.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 111.678 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -147.68 -10.67 0.4 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 103.41 -27.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.675 2.39 . . . . 0.0 111.858 173.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -66.97 -41.19 87.28 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.281 0.491 . . . . 0.0 110.322 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.72 -35.83 70.31 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 61.1 ttp -63.43 -38.71 92.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.44 0.296 . . . . 0.0 110.359 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.67 -27.28 62.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.132 -0.355 . . . . 0.0 111.473 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -78.38 -63.32 1.43 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.92 -18.45 21.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 122.165 -0.334 . . . . 0.0 111.805 -173.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.77 -8.44 21.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.439 0.563 . . . . 0.0 110.832 173.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.2 mttt . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 123.963 0.905 . . . . 0.0 111.93 -177.262 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.274 0.559 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -125.41 149.99 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.73 156.24 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-O 121.095 0.474 . . . . 0.0 110.812 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -86.55 159.76 19.16 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -142.34 142.71 32.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' N ' HD13 ' A' ' 15' ' ' LEU . 66.0 mtt180 -148.76 152.4 36.5 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.17 170.58 20.25 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.436 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.449 HD21 HD11 ' A' ' 83' ' ' ILE . 14.3 mt 61.76 156.55 0.11 Allowed Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 125.27 1.428 . . . . 0.0 112.635 178.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.9 72.6 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 124.401 3.401 . . . . 0.0 111.776 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 48.35 35.06 5.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.424 1.09 . . . . 0.0 113.446 177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -147.37 132.69 18.5 Favored 'General case' 0 CA--C 1.527 0.077 0 O-C-N 122.032 -0.417 . . . . 0.0 110.193 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.9 t -166.76 171.15 11.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.371 0.668 . . . . 0.0 109.717 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -145.34 170.44 16.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.198 0.599 . . . . 0.0 109.927 174.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.55 -17.78 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.429 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.21 -26.98 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 117.727 0.24 . . . . 0.0 111.08 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -77.75 -36.39 50.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.81 -39.88 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.959 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -70.66 -23.77 62.57 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.774 0.716 . . . . 0.0 110.821 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.22 64.09 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.42 0.288 . . . . 0.0 111.14 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -85.24 -31.25 23.25 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -95.85 52.23 1.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.1 p -62.32 9.02 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.709 1.604 . . . . 0.0 114.808 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -126.07 7.19 7.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.079 0.552 . . . . 0.0 110.537 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -128.16 -177.11 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.38 0.672 . . . . 0.0 111.283 -170.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.0 m -133.31 134.64 44.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.4 mp -89.16 41.49 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.001 0.92 . . . . 0.0 110.081 -174.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.8 t60 62.96 -39.66 0.17 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.993 1.717 . . . . 0.0 114.025 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -149.49 -8.71 0.32 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.817 1.247 . . . . 0.0 111.321 172.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 104.8 -127.58 9.12 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -176.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.88 4.0 0.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.664 0.786 . . . . 0.0 112.013 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -115.14 17.05 16.9 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.376 1.071 . . . . 0.0 111.095 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.03 3.18 2.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.88 157.46 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 117.565 0.682 . . . . 0.0 109.919 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -152.86 162.85 40.77 Favored 'General case' 0 N--CA 1.458 -0.062 0 C-N-CA 123.562 0.745 . . . . 0.0 109.554 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -145.66 171.44 14.72 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.725 0.81 . . . . 0.0 109.363 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.664 HD11 ' CE2' ' A' ' 58' ' ' PHE . 10.3 mt . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.481 0.658 . . . . 0.0 110.968 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 121.14 0.495 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.664 ' CE2' HD11 ' A' ' 46' ' ' ILE . 97.5 m-85 -136.98 163.43 30.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.321 1.048 . . . . 0.0 108.883 173.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG13 HG23 ' A' ' 36' ' ' ILE . 47.9 t -145.05 108.41 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.53 149.54 42.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 mt -128.29 -177.08 4.01 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.052 0.453 . . . . 0.0 111.456 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.8 -35.45 6.43 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 119.186 -0.785 . . . . 0.0 113.688 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -152.19 172.64 16.06 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 118.303 1.052 . . . . 0.0 111.782 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 32.4 tt0 -59.01 -31.64 69.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.002 0.521 . . . . 0.0 110.778 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.88 -28.26 68.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.871 -0.518 . . . . 0.0 110.754 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -77.59 -39.69 44.74 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.348 -0.22 . . . . 0.0 110.633 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.1 p -68.64 -40.18 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -61.34 -44.88 96.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.2 mtm -70.66 -26.46 63.46 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.69 67.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.407 0.549 . . . . 0.0 110.653 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.3 mt -76.86 -18.58 58.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.085 0.554 . . . . 0.0 111.705 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.64 -7.88 17.49 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 26.88 3.84 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.426 0.631 . . . . 0.0 110.716 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -47.2 -6.63 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -155.81 27.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 120.229 1.377 . . . . 0.0 112.733 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -73.41 -157.55 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.597 0.713 . . . . 0.0 111.805 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -145.25 151.88 39.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.93 0.892 . . . . 0.0 110.057 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.8 mtt -72.54 -11.92 60.86 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.422 0.289 . . . . 0.0 110.373 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.6 -11.87 5.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -145.27 -8.47 0.59 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -158.01 146.47 18.99 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.159 0.891 . . . . 0.0 112.092 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.28 128.77 37.65 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 127.156 2.183 . . . . 0.0 111.466 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.449 HD11 HD21 ' A' ' 18' ' ' LEU . 23.8 mm -124.32 162.98 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.436 ' N ' HG22 ' A' ' 83' ' ' ILE . 23.8 mt-10 -147.13 158.62 44.0 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.05 0.453 . . . . 0.0 111.777 -179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.24 155.07 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -156.01 155.0 31.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -76.88 151.26 35.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 121.845 -0.535 . . . . 0.0 111.066 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -145.6 179.39 7.46 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.637 0.375 . . . . 0.0 110.837 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -147.68 12.66 1.02 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.117 0.567 . . . . 0.0 111.858 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 75.43 -26.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.232 1.413 . . . . 0.0 113.584 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.2 m -69.56 -39.38 77.44 Favored 'General case' 0 N--CA 1.458 -0.05 0 CA-C-N 118.775 0.716 . . . . 0.0 109.758 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.15 -36.24 79.36 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.467 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.4 ttp -57.75 -47.99 80.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.33 -29.66 68.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 111.268 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -71.28 -20.39 62.22 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -122.79 -13.06 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 118.163 0.438 . . . . 0.0 111.566 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.94 -2.3 14.73 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.608 0.64 . . . . 0.0 110.262 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.456 -0.156 0 C-N-CA 124.465 1.106 . . . . 0.0 111.069 -178.066 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 121.232 0.539 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -133.74 151.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.6 160.16 27.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.231 0.539 . . . . 0.0 111.065 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -90.58 164.47 14.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.403 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -143.06 139.66 30.61 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.025 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' N ' HD13 ' A' ' 15' ' ' LEU . 97.1 mtt180 -144.82 150.81 37.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.98 -157.83 22.39 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.756 172.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 18' ' ' LEU . 2.1 mm? 61.33 150.63 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 125.909 1.684 . . . . 0.0 111.941 -175.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -41.79 -53.32 3.43 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.746 3.631 . . . . 0.0 113.921 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -159.29 -8.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.401 0.681 . . . . 0.0 111.414 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -156.07 169.03 25.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.316 0.507 . . . . 0.0 110.687 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 t -156.11 177.42 11.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.799 0.839 . . . . 0.0 109.001 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -137.42 160.29 39.51 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 122.992 0.517 . . . . 0.0 109.609 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.04 -19.17 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.44 -26.31 26.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.968 0.349 . . . . 0.0 111.456 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -81.67 -35.77 29.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -69.36 -40.17 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.055 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -71.1 -23.75 62.16 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.835 0.743 . . . . 0.0 111.113 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -25.22 63.3 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.251 0.22 . . . . 0.0 111.132 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -89.29 -34.43 16.59 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.28 61.34 6.77 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.434 0.561 . . . . 0.0 109.994 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 m -54.51 152.08 7.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.023 0.529 . . . . 0.0 111.186 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 62.75 -14.48 0.06 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.552 1.941 . . . . 0.0 114.038 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.3 m -80.21 178.73 8.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 110.68 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.1 m -136.2 152.11 50.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 36' ' ' ILE . 35.7 mt -121.51 41.37 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-O 121.742 0.782 . . . . 0.0 110.282 -164.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.8 t60 63.78 -29.0 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.06 1.744 . . . . 0.0 114.201 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.3 m-20 -158.25 -26.97 0.08 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.124 1.37 . . . . 0.0 110.998 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.4 131.48 0.3 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -172.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.34 9.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.786 0.834 . . . . 0.0 112.9 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.58 18.05 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.186 0.995 . . . . 0.0 111.238 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.94 6.19 4.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.82 158.18 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.146 0.578 . . . . 0.0 109.896 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -153.04 157.67 40.83 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.102 0.561 . . . . 0.0 110.304 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -145.76 172.91 12.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.299 1.04 . . . . 0.0 108.622 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.543 HD11 ' CE2' ' A' ' 58' ' ' PHE . 34.3 mt . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.578 0.704 . . . . 0.0 110.256 -173.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.2 m-85 -142.65 170.45 15.67 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.487 1.115 . . . . 0.0 109.617 175.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -147.26 118.52 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 123.659 0.784 . . . . 0.0 108.907 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -76.91 154.29 33.83 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.28 -173.7 3.23 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.11 -21.32 7.44 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.12 -0.822 . . . . 0.0 114.064 -173.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -158.1 171.53 20.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.765 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 33.0 tt0 -59.16 -29.67 67.6 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.929 0.892 . . . . 0.0 110.511 175.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.73 -28.02 64.4 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.902 -0.499 . . . . 0.0 110.584 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.03 -36.66 48.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.201 -0.312 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.03 -38.33 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.87 -46.99 87.03 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.244 0.474 . . . . 0.0 110.289 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.3 mtm -66.76 -28.28 68.28 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.11 -29.51 64.16 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.262 0.483 . . . . 0.0 111.18 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.24 -15.2 57.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.166 0.586 . . . . 0.0 111.811 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.46 -7.92 29.3 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 27.71 3.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.251 0.548 . . . . 0.0 110.55 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -46.65 -11.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -155.82 29.02 0.37 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.881 1.219 . . . . 0.0 112.504 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.27 -158.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.596 0.713 . . . . 0.0 111.687 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -144.99 150.52 37.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.857 0.863 . . . . 0.0 110.089 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.67 -13.1 61.64 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.48 -7.52 5.92 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -151.3 -7.99 0.24 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -153.17 148.8 27.33 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.364 0.984 . . . . 0.0 112.443 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.4 124.82 23.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 127.008 2.123 . . . . 0.0 110.593 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -124.26 160.66 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -148.67 160.31 43.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 111.61 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.03 146.38 20.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -146.86 151.11 36.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -73.08 146.94 45.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.064 -0.398 . . . . 0.0 110.997 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -141.35 -177.55 5.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.041 0.448 . . . . 0.0 110.731 -176.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -146.0 9.63 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.506 0.722 . . . . 0.0 111.429 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 75.59 -25.96 0.2 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.62 1.568 . . . . 0.0 113.683 173.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.1 m -68.84 -39.08 80.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.788 0.722 . . . . 0.0 109.777 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.85 -39.09 83.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.48 -47.7 81.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.19 -30.41 69.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.6 0.36 . . . . 0.0 111.604 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.394 0.678 . . . . 0.0 112.765 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.1 p -120.84 -18.76 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.294 0.497 . . . . 0.0 111.661 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.04 -5.2 16.24 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.61 0.641 . . . . 0.0 110.75 172.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.455 -0.184 0 C-N-CA 124.206 1.002 . . . . 0.0 111.001 -177.227 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.4 m-85 . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.49 153.59 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.0 m -136.78 154.28 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.292 0.568 . . . . 0.0 111.348 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HE3' ' O ' ' A' ' 87' ' ' LYS . 63.8 mttt -85.46 159.71 19.88 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.829 175.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.41 132.42 24.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -145.63 172.51 13.16 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 122.6 0.36 . . . . 0.0 110.049 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.85 -128.63 9.35 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 22' ' ' CYS . 8.1 mt 70.05 165.72 0.13 Allowed Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 122.715 0.406 . . . . 0.0 109.906 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 83.7 Cg_endo -76.89 -21.12 12.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.643 2.229 . . . . 0.0 112.784 -170.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 164.69 -30.49 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.315 1.846 . . . . 0.0 108.325 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -155.02 169.88 23.06 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.639 1.176 . . . . 0.0 109.477 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.438 ' HB2' HD13 ' A' ' 18' ' ' LEU . 7.6 t -160.95 -175.4 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.221 -0.299 . . . . 0.0 111.594 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -139.35 163.44 32.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.16 0.984 . . . . 0.0 110.047 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.426 HG13 ' H ' ' A' ' 24' ' ' VAL . 1.4 m -67.4 -20.64 26.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -171.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -84.83 -27.26 26.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.462 0.574 . . . . 0.0 111.523 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -79.74 -35.06 39.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.01 0.368 . . . . 0.0 110.037 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -67.37 -44.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.688 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -73.67 -18.16 61.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 119.11 0.868 . . . . 0.0 111.649 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -28.11 63.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.896 0.316 . . . . 0.0 110.492 173.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.17 -36.79 34.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -80.62 175.57 10.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -153.85 157.85 39.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.885 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 52.49 7.62 0.07 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.979 1.312 . . . . 0.0 113.264 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.7 p -79.17 179.57 7.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.24 1.016 . . . . 0.0 110.287 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -140.82 5.95 1.99 Allowed 'General case' 0 C--N 1.338 0.083 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 mm 43.82 24.32 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.514 1.926 . . . . 0.0 113.717 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.9 t60 63.26 -36.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.718 1.607 . . . . 0.0 113.967 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -152.45 -2.36 0.26 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.24 1.016 . . . . 0.0 111.552 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 102.35 -137.3 13.29 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -173.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 0.1 0.19 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.197 0.599 . . . . 0.0 112.304 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -105.16 16.85 25.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.324 1.05 . . . . 0.0 111.493 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.69 3.29 4.22 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 p -75.09 157.99 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.486 0.643 . . . . 0.0 109.383 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -150.72 162.2 41.17 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.55 0.74 . . . . 0.0 109.143 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -145.75 173.91 11.68 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.943 0.497 . . . . 0.0 110.58 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.512 HD11 ' CE2' ' A' ' 58' ' ' PHE . 16.3 mt . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.9 0.857 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.512 ' CE2' HD11 ' A' ' 46' ' ' ILE . 79.2 m-85 -139.31 161.41 37.5 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.15 171.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.6 t -142.37 110.61 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -74.9 153.97 38.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -132.08 -174.51 3.45 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.81 -24.92 7.85 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.97 -0.906 . . . . 0.0 114.168 -175.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.1 m -148.11 165.56 30.47 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.729 1.265 . . . . 0.0 112.235 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.7 tt0 -59.93 -30.38 69.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.137 0.575 . . . . 0.0 110.479 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.93 -29.31 68.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.204 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -73.65 -41.2 63.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.207 -0.308 . . . . 0.0 110.289 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -40.42 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.53 -43.96 97.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 63.6 mtm -67.07 -30.05 69.99 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.79 63.26 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.286 0.494 . . . . 0.0 111.337 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.8 -17.31 57.61 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.099 0.56 . . . . 0.0 111.825 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.87 -6.14 11.28 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 28.86 3.31 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 118.633 0.652 . . . . 0.0 110.661 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -44.57 -11.9 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -149.39 22.13 0.93 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.959 1.254 . . . . 0.0 112.757 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -69.58 -168.21 0.17 Allowed 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.659 -0.651 . . . . 0.0 112.158 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -139.0 174.38 10.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.51 0.724 . . . . 0.0 111.911 -171.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.9 mtt -110.79 -13.97 14.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.957 0.503 . . . . 0.0 111.574 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.47 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.704 -0.498 . . . . 0.0 113.411 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -149.64 4.61 0.59 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.844 0.822 . . . . 0.0 111.285 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.2 ttp-105 -155.22 162.93 40.8 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.27 1.7 p90 -118.02 164.09 15.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.105 0.955 . . . . 0.0 113.397 -176.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 mm -132.25 165.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -169.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -143.2 148.29 36.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.607 0.242 . . . . 0.0 110.435 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.81 153.71 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -158.53 163.6 36.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.413 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 77.6 tttt -79.41 155.17 28.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.968 -0.458 . . . . 0.0 110.977 -175.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t -144.49 177.61 8.53 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.983 0.513 . . . . 0.0 110.907 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -153.05 15.06 0.54 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.328 0.651 . . . . 0.0 112.252 -172.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 74.7 -34.52 0.27 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.318 1.847 . . . . 0.0 114.005 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -64.6 -39.25 93.39 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 119.04 0.836 . . . . 0.0 110.424 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.533 ' O ' HG12 ' A' ' 96' ' ' VAL . 47.2 tt0 -68.62 -42.78 77.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.3 ttp -59.5 -42.68 92.73 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.535 0.522 . . . . 0.0 110.863 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.94 -30.05 71.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -83.26 -22.08 33.15 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 92' ' ' GLU . 7.2 p -110.68 -10.8 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 122.653 0.381 . . . . 0.0 112.009 -175.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -6.5 28.82 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.602 -0.686 . . . . 0.0 111.408 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 t -138.78 144.05 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.62 160.42 27.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.31 0.576 . . . . 0.0 111.464 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -94.95 160.58 14.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.294 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -135.29 141.16 45.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.093 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' H ' HD13 ' A' ' 15' ' ' LEU . 45.9 ttt180 -153.9 162.98 40.79 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.757 0.823 . . . . 0.0 109.061 -174.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.57 -164.21 14.69 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 70.1 mt 70.18 172.87 0.1 OUTLIER Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.186 1.394 . . . . 0.0 110.361 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 50.5 Cg_exo -56.83 28.43 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.676 1 C-N-CA 125.701 4.268 . . . . 0.0 115.159 173.347 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.433 ' H ' ' C ' ' A' ' 18' ' ' LEU . 12.8 m0 51.35 32.61 8.66 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.056 0.942 . . . . 0.0 111.141 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.0 t -151.61 138.23 18.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.565 1.146 . . . . 0.0 107.95 173.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 t -162.54 174.67 12.34 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.439 0.295 . . . . 0.0 110.436 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -142.64 162.95 34.14 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.026 0.93 . . . . 0.0 109.456 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.96 -19.84 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.91 -24.28 35.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.882 0.31 . . . . 0.0 111.683 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -84.46 -35.91 22.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.988 0.358 . . . . 0.0 110.265 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.7 -36.35 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.755 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.07 -26.95 59.73 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.432 0.56 . . . . 0.0 110.951 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -25.08 64.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.467 0.307 . . . . 0.0 111.011 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -95.1 -21.43 18.54 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -102.51 62.11 0.84 Allowed 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 p -53.11 153.14 3.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 111.07 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 57.86 -1.59 0.08 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.672 1.589 . . . . 0.0 114.787 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.52 178.93 4.96 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.369 0.986 . . . . 0.0 110.068 175.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -123.39 -18.91 6.08 Favored 'General case' 0 N--CA 1.46 0.075 0 C-N-CA 122.678 0.391 . . . . 0.0 111.986 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.7 mt 54.7 23.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.408 1.083 . . . . 0.0 112.128 172.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.4 t60 67.36 -42.93 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.704 1.602 . . . . 0.0 113.304 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -152.56 1.72 0.32 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.3 1.04 . . . . 0.0 111.388 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 84.61 -120.14 5.19 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.82 5.4 0.13 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.116 0.966 . . . . 0.0 112.676 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -126.68 19.07 7.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.934 0.894 . . . . 0.0 111.222 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.45 0.92 4.35 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 p -74.1 160.94 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 117.28 0.54 . . . . 0.0 109.983 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.51 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 75.0 m-70 -151.27 160.4 43.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.916 0.887 . . . . 0.0 108.978 172.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -145.33 173.54 11.89 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.459 0.704 . . . . 0.0 109.454 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 58' ' ' PHE . 61.0 mt . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.704 0.288 . . . . 0.0 111.003 -172.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 121.38 0.609 . . . . 0.0 112.389 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' A' ' 46' ' ' ILE . 88.5 m-85 -139.26 164.95 28.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.005 0.922 . . . . 0.0 108.812 171.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 t -144.96 112.52 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -77.85 150.0 34.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 mt -126.57 -167.03 1.66 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.579 0.352 . . . . 0.0 110.359 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -117.93 -22.23 3.97 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.986 -0.896 . . . . 0.0 113.966 -174.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -149.97 168.47 23.73 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 118.805 1.302 . . . . 0.0 111.603 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.39 -32.96 71.81 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.946 0.498 . . . . 0.0 110.286 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.37 -28.4 69.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.428 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -76.41 -41.49 47.55 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.196 -0.315 . . . . 0.0 110.378 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.92 -39.42 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -61.52 -43.41 98.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 117.991 0.36 . . . . 0.0 110.252 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.5 mtm -66.03 -31.37 72.22 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.9 60.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.239 0.472 . . . . 0.0 111.337 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.94 -13.89 55.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.049 0.539 . . . . 0.0 112.025 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.42 -8.39 32.7 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.7 25.21 4.03 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 123.498 0.719 . . . . 0.0 110.217 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.2 -12.94 0.06 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -159.57 34.16 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.428 1.013 . . . . 0.0 112.38 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -111.82 -173.61 2.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.517 0.327 . . . . 0.0 110.869 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -119.01 151.26 38.53 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -163.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.8 mtt -71.36 -26.85 62.98 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.781 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.1 -9.22 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.125 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -147.0 -17.69 0.4 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.833 1.316 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -151.64 163.44 39.09 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 83' ' ' ILE 0.304 0.8 OUTLIER -103.44 154.84 19.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -170.865 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.6 HD12 ' C ' ' A' ' 82' ' ' TYR . 1.6 mp -121.53 163.33 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -173.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' HG22 ' A' ' 83' ' ' ILE . 13.6 mt-10 -137.61 145.55 42.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.11 153.55 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -157.97 159.01 36.01 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -75.53 151.55 37.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -177.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.4 t -138.31 176.41 8.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.846 0.355 . . . . 0.0 111.072 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -143.01 13.85 1.87 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.582 0.753 . . . . 0.0 111.859 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 74.34 -33.15 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.624 1.57 . . . . 0.0 112.853 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.3 m -65.73 -39.36 91.08 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.537 0.608 . . . . 0.0 110.396 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.68 -40.43 72.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.442 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 63.4 ttp -57.02 -47.21 81.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.34 -30.84 71.32 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.542 0.211 . . . . 0.0 111.541 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -71.38 -24.86 62.15 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.559 0.744 . . . . 0.0 112.873 -176.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.73 -12.97 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 117.926 0.33 . . . . 0.0 111.117 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.3 -2.74 17.26 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.468 -0.77 . . . . 0.0 111.019 172.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mttp . . . . . 0 CA--C 1.529 0.161 0 C-N-CA 123.559 0.744 . . . . 0.0 112.183 -178.44 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.5 m-85 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 121.299 0.571 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -129.44 151.88 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -137.19 157.86 35.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 121.225 0.536 . . . . 0.0 111.07 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -90.73 155.14 19.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 175.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -141.07 133.9 28.94 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.541 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' N ' HD13 ' A' ' 15' ' ' LEU . 74.5 mtt180 -143.44 153.78 43.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.05 -169.36 23.34 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.123 -0.561 . . . . 0.0 113.59 174.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.404 HD21 HD11 ' A' ' 83' ' ' ILE . 36.8 mt 60.75 151.3 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 125.025 1.33 . . . . 0.0 113.314 -176.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -63.81 89.93 0.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 124.817 3.678 . . . . 0.0 112.646 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 13.6 m95 56.59 0.37 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 115.946 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -152.04 160.09 43.54 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 119.422 1.01 . . . . 0.0 111.466 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.4 t -162.43 173.31 14.26 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.208 1.003 . . . . 0.0 109.054 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.8 p -148.43 166.69 27.36 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 122.92 0.488 . . . . 0.0 110.461 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG13 ' H ' ' A' ' 24' ' ' VAL . 2.0 m -67.29 -18.99 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 119.685 -0.198 . . . . 0.0 111.531 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.89 -28.69 27.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.949 0.34 . . . . 0.0 111.55 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -78.82 -35.91 43.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.121 0.418 . . . . 0.0 110.019 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.56 -38.62 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.193 -0.317 . . . . 0.0 110.806 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.91 -24.44 62.46 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.639 0.654 . . . . 0.0 110.296 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.741 0.416 . . . . 0.0 111.33 174.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -92.16 -32.76 14.99 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -91.95 53.57 2.22 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.2 p -64.68 9.13 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.869 1.668 . . . . 0.0 114.374 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -127.79 5.55 6.07 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 123.145 0.578 . . . . 0.0 110.407 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.7 m -124.93 -176.83 3.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.457 0.703 . . . . 0.0 111.188 -171.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.5 m -133.85 129.11 35.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.52 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.3 mp -85.15 42.26 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.669 1.187 . . . . 0.0 109.578 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.6 t60 60.19 -19.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 113.56 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.8 m-20 -155.38 -37.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.695 1.598 . . . . 0.0 109.115 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.6 -41.69 1.63 Allowed Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.202 0.906 . . . . 0.0 111.216 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.09 12.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.901 1.28 . . . . 0.0 110.405 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -128.42 18.13 6.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.3 0.64 . . . . 0.0 111.147 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.59 7.41 4.25 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.59 160.09 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.154 0.582 . . . . 0.0 109.878 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -151.12 155.46 38.97 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.223 0.609 . . . . 0.0 110.023 173.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.08 168.86 19.92 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.679 0.792 . . . . 0.0 109.341 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 58' ' ' PHE . 32.7 mt . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' A' ' 46' ' ' ILE . 94.2 m-85 -137.66 167.11 22.35 Favored 'General case' 0 C--N 1.338 0.071 0 C-N-CA 124.851 1.26 . . . . 0.0 108.796 172.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 HG23 ' A' ' 36' ' ' ILE . 48.7 t -145.82 112.08 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.17 151.14 40.08 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.22 -177.88 4.5 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.938 0.399 . . . . 0.0 111.192 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.33 -34.2 6.82 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.905 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.3 m -153.17 171.26 18.75 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.362 1.081 . . . . 0.0 111.885 -176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.9 tt0 -59.45 -28.27 66.82 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.26 0.624 . . . . 0.0 110.994 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.51 -28.24 64.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.57 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.64 -37.54 56.16 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.259 -0.276 . . . . 0.0 110.596 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.59 -39.93 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.75 -43.19 99.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.176 0.444 . . . . 0.0 110.381 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.1 mtm -70.19 -27.42 64.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.25 -29.88 65.65 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.447 0.567 . . . . 0.0 110.834 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.6 mt -78.43 -18.26 55.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.243 0.617 . . . . 0.0 111.695 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.98 -8.45 22.88 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 26.19 3.9 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.39 0.614 . . . . 0.0 110.715 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 46.8 p30 -44.6 -12.5 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -145.81 16.37 1.42 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 120.534 1.515 . . . . 0.0 111.792 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -71.61 -161.27 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.608 0.718 . . . . 0.0 111.754 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -143.47 157.54 44.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.584 0.754 . . . . 0.0 110.315 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.1 mtt -76.46 -7.52 55.25 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.148 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.59 -17.91 6.08 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -144.03 -4.58 0.82 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -154.75 140.11 17.7 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.6 0.636 . . . . 0.0 111.315 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.419 ' CE1' ' HG2' ' A' ' 84' ' ' GLU . 1.6 t80 -67.22 145.18 55.48 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.793 1.637 . . . . 0.0 111.408 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.404 HD11 HD21 ' A' ' 18' ' ' LEU . 30.4 mm -132.48 157.39 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 125.343 1.457 . . . . 0.0 107.848 -177.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HG2' ' CE1' ' A' ' 82' ' ' TYR . 4.9 mm-40 -135.1 138.16 43.53 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -176.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.9 149.58 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -154.81 155.32 34.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -75.87 155.17 35.53 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.16 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.7 t -143.3 -173.11 3.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.698 0.399 . . . . 0.0 110.209 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -140.19 -44.2 0.42 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.162 -173.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 131.19 -21.86 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.296 2.638 . . . . 0.0 112.398 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 m -67.0 -41.26 87.02 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 118.121 0.418 . . . . 0.0 110.455 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.28 -37.37 71.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 60.1 ttp -62.82 -35.7 80.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.452 0.301 . . . . 0.0 110.465 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.86 -27.77 60.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.735 0.302 . . . . 0.0 111.535 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -77.59 -64.41 1.16 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -175.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.15 -17.52 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 122.29 -0.256 . . . . 0.0 111.601 -173.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.79 -9.9 53.67 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.152 0.433 . . . . 0.0 111.246 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 CA--C 1.53 0.187 0 C-N-CA 123.549 0.74 . . . . 0.0 112.274 -176.083 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.53 148.43 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.83 154.57 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.241 0.543 . . . . 0.0 111.132 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -82.74 156.29 23.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.14 133.48 26.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -154.24 153.88 32.51 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 -172.15 24.13 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.5 -0.381 . . . . 0.0 112.428 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD21 HD11 ' A' ' 83' ' ' ILE . 22.1 mt 60.07 162.24 0.1 Allowed Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.113 1.365 . . . . 0.0 113.837 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.73 75.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 1 C-N-CA 126.475 4.784 . . . . 0.0 114.993 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.8 m95 52.61 6.0 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 t -157.82 155.75 30.27 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 120.525 1.511 . . . . 0.0 113.177 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -161.74 -179.89 7.59 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.916 1.686 . . . . 0.0 108.967 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.1 p -145.45 171.06 15.18 Favored 'General case' 0 C--N 1.339 0.126 0 O-C-N 122.049 -0.407 . . . . 0.0 111.131 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.83 -20.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.35 -28.05 34.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.983 0.356 . . . . 0.0 111.352 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -78.99 -36.59 41.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.06 0.391 . . . . 0.0 109.988 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.23 -37.23 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 O-C-N 122.395 -0.191 . . . . 0.0 110.857 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -72.36 -24.51 61.29 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.612 0.642 . . . . 0.0 110.345 176.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -23.1 61.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.645 0.378 . . . . 0.0 111.303 172.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -99.2 -25.89 14.37 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.18 53.73 0.74 Allowed 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.2 p -63.35 9.83 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.433 1.493 . . . . 0.0 114.313 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -125.42 4.66 7.67 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.149 0.579 . . . . 0.0 110.709 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.09 -178.92 3.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.456 0.702 . . . . 0.0 110.815 -175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -123.61 -13.3 7.54 Favored 'General case' 0 C--O 1.23 0.051 0 C-N-CA 122.793 0.437 . . . . 0.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.7 mt 52.75 29.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.096 0.959 . . . . 0.0 111.259 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.9 t60 63.03 -18.69 0.05 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.491 1.516 . . . . 0.0 113.573 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.14 -37.41 0.07 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.92 1.288 . . . . 0.0 109.875 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.26 -38.77 2.22 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 124.056 0.836 . . . . 0.0 111.428 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.42 11.48 1.01 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.065 1.346 . . . . 0.0 110.457 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -128.45 15.74 6.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.979 0.511 . . . . 0.0 111.355 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.84 4.87 7.45 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 175.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.04 160.5 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.293 0.637 . . . . 0.0 109.783 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -149.66 154.7 39.01 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 123.438 0.695 . . . . 0.0 109.361 173.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -150.52 159.66 44.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.35 0.66 . . . . 0.0 109.248 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.616 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -145.41 171.13 15.06 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.706 0.802 . . . . 0.0 110.83 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -147.01 115.26 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.982 0.913 . . . . 0.0 109.01 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -79.51 147.28 32.27 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -123.0 -173.18 2.65 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.863 0.363 . . . . 0.0 110.743 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.22 -30.46 5.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.982 -0.899 . . . . 0.0 113.546 -175.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.9 m -150.86 172.28 15.89 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.601 1.201 . . . . 0.0 112.118 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.22 -30.42 70.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.32 -27.73 64.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.355 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -76.81 -37.1 56.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.156 -0.34 . . . . 0.0 110.6 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.33 -39.26 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.47 -46.75 88.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.15 0.432 . . . . 0.0 110.47 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.5 mtm -67.04 -27.62 67.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.53 62.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.271 0.487 . . . . 0.0 110.959 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.4 -17.19 58.37 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.974 0.51 . . . . 0.0 111.564 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -66.26 -9.09 29.15 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 26.9 4.03 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-O 121.451 0.643 . . . . 0.0 110.714 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.6 p30 -48.17 -5.45 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -155.13 25.24 0.42 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.042 1.292 . . . . 0.0 112.749 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -72.04 -162.15 0.09 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.826 0.822 . . . . 0.0 111.437 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.7 t -144.16 152.96 41.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.572 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.7 mtt -76.24 -11.17 59.87 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.829 0.452 . . . . 0.0 110.472 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.94 -3.66 7.41 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 119.555 -0.581 . . . . 0.0 111.991 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -149.66 -16.68 0.27 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.04 0.92 . . . . 0.0 113.009 -177.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -152.91 154.07 34.3 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 119.058 0.844 . . . . 0.0 111.805 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.95 128.09 35.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 111.74 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.472 HD11 HD21 ' A' ' 18' ' ' LEU . 19.2 mm -121.59 161.38 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 175.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -146.55 157.9 43.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 111.374 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -142.09 154.1 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -156.41 156.24 33.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -72.34 151.69 42.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.909 -0.494 . . . . 0.0 110.943 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.1 t -141.28 173.83 11.11 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.094 0.558 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -150.32 13.07 0.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.576 0.75 . . . . 0.0 112.002 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 79.38 -28.07 0.15 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.745 2.018 . . . . 0.0 113.274 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -67.67 -40.2 84.46 Favored 'General case' 0 CA--C 1.524 -0.037 0 CA-C-N 119.083 0.856 . . . . 0.0 110.406 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.52 -45.09 73.17 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -61.84 -43.25 99.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.273 -175.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.12 -33.11 75.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.335 0.254 . . . . 0.0 111.441 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -69.88 -55.16 10.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.77 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.14 -26.49 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 117.91 0.323 . . . . 0.0 111.745 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.83 -8.83 31.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.812 0.733 . . . . 0.0 110.795 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.4 mttt . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.592 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--O 1.226 -0.132 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.55 155.51 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.91 154.78 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 121.043 0.449 . . . . 0.0 109.971 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -89.47 157.44 18.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -135.66 142.84 45.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.135 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' H ' HD13 ' A' ' 15' ' ' LEU . 40.0 ttm180 -149.67 148.35 29.18 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.96 -167.6 18.31 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.545 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 83' ' ' ILE . 31.4 mt 63.38 156.08 0.12 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 125.302 1.441 . . . . 0.0 112.79 -177.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.79 69.57 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.903 3.735 . . . . 0.0 112.128 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 47.81 24.94 0.64 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.589 1.555 . . . . 0.0 113.623 176.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -151.13 146.52 26.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.801 -0.562 . . . . 0.0 110.52 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 t -166.93 178.79 5.6 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.95 0.9 . . . . 0.0 108.895 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.8 p -146.5 163.48 35.58 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.92 0.488 . . . . 0.0 109.715 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -68.47 -19.45 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.169 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.52 -27.86 27.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.653 0.206 . . . . 0.0 111.27 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.86 -34.42 39.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.982 0.355 . . . . 0.0 110.055 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -72.91 -37.72 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 117.749 0.25 . . . . 0.0 110.802 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.91 -25.47 61.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.605 0.639 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -28.27 65.09 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.591 0.357 . . . . 0.0 110.975 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -86.98 -19.31 28.91 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -102.85 63.67 0.84 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.822 0.849 . . . . 0.0 109.075 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 m -53.75 146.81 12.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.908 0.483 . . . . 0.0 110.824 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 59.11 -3.88 0.08 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.977 1.711 . . . . 0.0 114.482 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.7 m -81.95 -177.76 6.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 119.076 0.853 . . . . 0.0 110.435 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m -139.88 138.41 35.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.484 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.3 mp -99.69 43.29 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 109.76 -173.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.9 t60 62.33 -27.98 0.07 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.151 1.78 . . . . 0.0 114.221 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.13 -25.31 0.09 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.378 1.471 . . . . 0.0 110.673 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.67 126.91 0.36 Allowed Glycine 0 C--N 1.338 0.65 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.63 12.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.868 0.867 . . . . 0.0 112.99 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.35 16.77 2.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.338 1.055 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.38 6.92 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -78.75 159.0 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 117.425 0.612 . . . . 0.0 109.871 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -153.89 161.95 41.61 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.587 0.755 . . . . 0.0 109.797 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.06 170.33 18.62 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.227 1.011 . . . . 0.0 109.349 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.518 HD11 ' CE2' ' A' ' 58' ' ' PHE . 36.6 mt . . . . . 0 CA--C 1.529 0.146 0 CA-C-N 118.004 0.366 . . . . 0.0 110.554 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.518 ' CE2' HD11 ' A' ' 46' ' ' ILE . 96.6 m-85 -140.87 166.23 25.35 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-O 121.115 0.483 . . . . 0.0 110.454 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -144.83 112.72 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.29 146.77 45.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.77 -174.71 3.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.454 0.57 . . . . 0.0 110.668 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.33 -22.96 7.19 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.09 -0.839 . . . . 0.0 113.809 -172.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -148.71 164.51 34.15 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 118.521 1.16 . . . . 0.0 111.03 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -59.0 -32.98 70.19 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.93 -25.47 66.37 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 122.046 -0.409 . . . . 0.0 111.36 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.62 -40.15 50.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.68 -39.02 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -56.44 -51.04 69.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.7 mtm -64.75 -28.22 69.43 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.493 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -74.18 -29.09 61.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.063 -0.398 . . . . 0.0 111.548 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -79.49 -14.41 58.91 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.722 0.409 . . . . 0.0 111.858 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.49 -10.39 57.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -130.75 33.06 4.28 Favored 'General case' 0 N--CA 1.458 -0.044 0 CA-C-N 118.703 0.683 . . . . 0.0 111.209 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.56 -7.29 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.97 24.04 0.38 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 120.08 1.309 . . . . 0.0 112.712 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.9 -158.77 0.07 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.531 0.681 . . . . 0.0 111.511 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -143.48 149.06 37.01 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.141 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.7 mtt -73.24 -12.42 60.86 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.06 -13.46 4.97 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -145.33 -6.44 0.64 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -156.56 148.1 22.56 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.401 1.001 . . . . 0.0 112.275 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.18 128.55 36.31 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.226 2.21 . . . . 0.0 111.028 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.446 HD11 HD21 ' A' ' 18' ' ' LEU . 23.5 mm -120.97 163.72 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 83' ' ' ILE . 12.6 mt-10 -147.66 154.5 40.69 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.855 0.462 . . . . 0.0 110.106 176.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -145.8 156.81 12.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -157.59 165.45 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -82.1 151.56 26.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.582 0.23 . . . . 0.0 110.431 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -149.14 176.89 10.1 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.815 0.446 . . . . 0.0 110.663 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -148.04 12.9 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 111.705 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 78.82 -27.91 0.16 Allowed 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 125.49 1.516 . . . . 0.0 113.778 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.2 m -68.82 -39.02 80.24 Favored 'General case' 0 C--N 1.335 -0.023 0 CA-C-N 118.731 0.696 . . . . 0.0 109.878 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.7 -38.11 80.03 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 62.0 ttp -56.6 -46.76 80.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 -30.14 70.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.788 0.435 . . . . 0.0 111.88 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -73.33 -21.56 60.52 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.1 -12.71 10.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.116 0.416 . . . . 0.0 111.787 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.39 -5.4 36.19 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.196 -0.94 . . . . 0.0 111.533 173.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm . . . . . 0 C--N 1.341 0.2 0 C-N-CA 122.878 0.471 . . . . 0.0 112.259 -178.484 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 2.9 m-30 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 121.42 0.629 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.98 148.72 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.76 157.46 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 CA-C-O 121.221 0.534 . . . . 0.0 111.623 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -88.4 157.92 18.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -144.47 141.07 29.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' HD13 ' A' ' 15' ' ' LEU . 58.1 ttp180 -155.1 152.02 29.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.73 -177.29 20.28 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 112.101 -0.399 . . . . 0.0 112.101 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 19.6 mt 59.21 167.8 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 124.462 1.105 . . . . 0.0 112.269 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 18.9 Cg_endo -54.34 143.37 65.75 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 121.672 1.581 . . . . 0.0 108.243 168.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.64 67.36 0.77 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.299 0.571 . . . . 0.0 112.154 -174.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -155.56 17.67 0.39 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.133 1.373 . . . . 0.0 110.304 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.64 170.81 1.31 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.927 1.291 . . . . 0.0 112.306 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -143.15 168.65 19.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.402 0.681 . . . . 0.0 111.109 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.408 ' CG1' HG11 ' A' ' 43' ' ' VAL . 1.9 m -64.98 -19.26 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 123.289 0.636 . . . . 0.0 112.614 -174.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.89 -28.29 30.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 111.159 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.99 -37.47 47.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.075 0.398 . . . . 0.0 109.977 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.13 -42.37 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 119.351 -0.357 . . . . 0.0 111.081 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.7 -21.03 57.95 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.096 0.862 . . . . 0.0 111.28 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.96 65.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.321 0.248 . . . . 0.0 111.033 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -84.9 -33.84 22.68 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.38 51.96 2.37 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 7.4 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 114.891 -174.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -122.73 0.66 9.31 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-N 118.374 0.534 . . . . 0.0 110.454 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.9 m -111.91 -174.76 2.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.886 0.874 . . . . 0.0 110.799 -172.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.6 m -139.63 132.51 29.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -82.74 141.03 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -49.94 -35.36 23.81 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -150.67 1.7 0.44 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.017 0.527 . . . . 0.0 111.773 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.74 -133.34 11.44 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 1.94 0.63 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.917 0.487 . . . . 0.0 112.182 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.21 17.3 21.09 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.401 1.081 . . . . 0.0 110.409 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.87 27.74 3.15 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.408 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.0 p -118.44 161.81 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.144 0.578 . . . . 0.0 110.152 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -150.98 158.8 44.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.509 0.724 . . . . 0.0 109.474 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -147.61 143.81 27.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mm . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.667 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.709 0.766 . . . . 0.0 112.703 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.24 159.47 42.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.889 1.276 . . . . 0.0 107.597 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -142.08 117.7 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.38 148.48 29.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.3 mt -127.02 -173.58 2.93 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.176 0.512 . . . . 0.0 111.293 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.43 -32.9 6.42 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.507 -175.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -151.93 169.09 23.15 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.447 1.124 . . . . 0.0 111.894 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 39.1 tp10 -60.92 -27.05 67.92 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.031 0.532 . . . . 0.0 110.672 176.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.65 -27.59 64.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.29 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -76.62 -36.42 57.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.386 0.274 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -69.4 -39.72 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.7 -45.24 94.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.396 0.544 . . . . 0.0 110.51 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 48.8 mtm -68.08 -25.18 65.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.34 -28.79 63.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.203 0.456 . . . . 0.0 111.113 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.12 -14.6 57.53 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.406 0.682 . . . . 0.0 112.076 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.16 -4.38 13.62 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -136.16 26.71 3.22 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 124.052 0.941 . . . . 0.0 109.618 -178.513 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -48.76 -14.34 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -157.33 15.53 0.26 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 119.902 1.228 . . . . 0.0 113.336 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 73' ' ' LYS . 10.3 pt-20 -78.83 -161.08 0.26 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.963 -0.461 . . . . 0.0 110.257 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.0 t -130.98 154.78 47.8 Favored 'General case' 0 N--CA 1.458 -0.054 0 O-C-N 121.903 -0.498 . . . . 0.0 112.011 -171.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.68 -17.69 64.98 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.996 0.518 . . . . 0.0 110.129 174.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.67 -5.68 5.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -151.31 -11.66 0.21 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -155.53 147.72 23.63 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.234 0.924 . . . . 0.0 112.136 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.83 131.38 46.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.372 2.269 . . . . 0.0 111.411 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 84' ' ' GLU . 25.4 mm -122.43 167.37 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' HG22 ' A' ' 83' ' ' ILE . 9.9 mt-10 -145.8 147.07 31.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.862 0.465 . . . . 0.0 109.921 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.57 153.71 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.113 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -156.8 156.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.55 152.96 37.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -140.49 179.22 6.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.56 . . . . 0.0 110.648 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -144.19 12.56 1.59 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.493 0.717 . . . . 0.0 110.898 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 74.35 -26.63 0.19 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.299 1.439 . . . . 0.0 113.66 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -70.18 -38.52 75.39 Favored 'General case' 0 C--N 1.335 -0.033 0 CA-C-N 118.54 0.609 . . . . 0.0 109.954 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.8 -38.7 76.72 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.72 -40.87 89.46 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -70.75 -28.36 64.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -74.35 -60.5 2.24 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.69 -24.72 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.159 0.436 . . . . 0.0 111.722 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.22 -4.9 23.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.361 0.528 . . . . 0.0 111.048 175.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 CA--C 1.531 0.227 0 C-N-CA 123.779 0.832 . . . . 0.0 112.161 -175.701 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.8 t -121.87 151.12 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.58 168.92 19.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -103.16 159.2 15.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.549 0.74 . . . . 0.0 109.168 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.432 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -141.1 138.71 33.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.679 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.432 ' H ' HD13 ' A' ' 15' ' ' LEU . 3.0 ptm180 -155.35 149.25 25.51 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.08 -165.62 24.27 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 121.537 -0.364 . . . . 0.0 112.492 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.511 HD21 HD11 ' A' ' 83' ' ' ILE . 34.9 mt 59.69 148.36 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 C-N-CA 125.589 1.555 . . . . 0.0 114.177 -177.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.35 98.52 0.33 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 124.366 3.378 . . . . 0.0 112.096 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 48.69 9.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.374 1.87 . . . . 0.0 115.971 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -156.04 155.58 32.91 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 120.302 1.41 . . . . 0.0 113.036 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.3 t -166.38 165.03 17.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.057 1.343 . . . . 0.0 108.07 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -144.84 162.51 36.62 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.07 -21.12 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -80.71 -24.32 38.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.777 0.262 . . . . 0.0 111.49 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -84.13 -33.97 24.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.003 0.365 . . . . 0.0 110.34 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.31 -36.77 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 O-C-N 122.374 -0.204 . . . . 0.0 110.777 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.13 -27.53 62.68 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.028 0.376 . . . . 0.0 110.043 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.44 63.87 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.864 0.466 . . . . 0.0 111.625 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -88.23 -22.12 24.14 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 8.2 mp -102.99 60.3 0.78 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m -57.93 5.65 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.258 1.823 . . . . 0.0 115.656 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -137.19 6.97 2.86 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.982 0.81 . . . . 0.0 111.403 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 67.5 m -113.67 -179.26 3.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.112 0.565 . . . . 0.0 111.251 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 m -136.94 123.24 20.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.1 mp -83.39 41.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 124.954 1.302 . . . . 0.0 109.957 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.1 t60 60.16 -18.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.776 1.63 . . . . 0.0 113.66 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.6 m-20 -155.41 -37.41 0.09 Allowed 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.839 1.656 . . . . 0.0 109.067 176.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.24 1.38 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 124.208 0.908 . . . . 0.0 111.247 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.7 12.2 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.049 1.34 . . . . 0.0 110.503 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.41 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -126.57 18.66 7.43 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.115 0.566 . . . . 0.0 111.084 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.28 6.0 4.62 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.46 161.21 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.285 0.634 . . . . 0.0 109.93 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -154.72 156.0 35.59 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.133 0.573 . . . . 0.0 110.456 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -148.18 164.3 34.36 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mm . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 122.04 0.924 . . . . 0.0 111.482 -176.806 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.252 0.548 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.407 ' CG ' ' HG3' ' A' ' 93' ' ' MET . 97.2 m-85 -141.7 161.55 37.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.511 HG13 HG23 ' A' ' 36' ' ' ILE . 38.7 t -144.71 104.69 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.15 147.33 46.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.96 -175.58 3.39 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.189 0.519 . . . . 0.0 111.547 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.73 -33.75 6.91 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.425 -174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -151.77 170.07 20.67 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.225 1.013 . . . . 0.0 111.783 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.16 -28.11 67.65 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.46 0.704 . . . . 0.0 111.025 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.26 -28.72 64.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.7 -0.625 . . . . 0.0 110.454 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -74.97 -38.09 61.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.2 -0.313 . . . . 0.0 110.611 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -39.89 82.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.26 -45.12 95.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.142 0.428 . . . . 0.0 110.335 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.0 mtm -67.13 -28.72 68.38 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.021 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.28 -14.32 58.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.011 0.524 . . . . 0.0 111.594 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.52 -7.58 33.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 27.61 4.18 Favored 'General case' 0 C--N 1.337 0.045 0 CA-C-N 118.586 0.63 . . . . 0.0 110.597 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -46.38 -10.37 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 -177.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -151.46 18.95 0.73 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 120.397 1.453 . . . . 0.0 112.072 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -71.7 -161.51 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.745 0.783 . . . . 0.0 112.377 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 t -143.16 149.03 37.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.086 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.6 mtt -73.11 -11.52 60.57 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 122.496 0.319 . . . . 0.0 110.356 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.77 -13.11 3.41 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.608 -0.551 . . . . 0.0 111.77 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -153.48 -3.85 0.2 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 117.912 0.856 . . . . 0.0 113.027 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -150.86 144.72 25.2 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.265 0.938 . . . . 0.0 112.412 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -64.68 125.44 24.76 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 127.528 2.331 . . . . 0.0 110.999 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.511 HD11 HD21 ' A' ' 18' ' ' LEU . 20.7 mm -121.06 161.21 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 176.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 83' ' ' ILE . 23.2 mt-10 -148.09 154.44 40.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.093 0.473 . . . . 0.0 111.1 178.013 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.37 145.58 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -146.67 152.24 38.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -75.09 145.81 41.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.966 0.412 . . . . 0.0 111.391 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -138.41 -174.26 3.76 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.021 0.529 . . . . 0.0 110.402 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -155.35 16.53 0.4 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.612 0.765 . . . . 0.0 111.676 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 76.52 -28.82 0.18 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.341 1.456 . . . . 0.0 113.176 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -68.24 -38.73 82.15 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.4 0.545 . . . . 0.0 109.838 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -70.7 -33.74 71.21 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.407 ' HG3' ' CG ' ' A' ' 58' ' ' PHE . 63.0 ttp -59.58 -49.76 76.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.39 -28.25 68.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.843 0.457 . . . . 0.0 111.503 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.73 -19.44 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.4 0.68 . . . . 0.0 112.184 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 p -121.35 -24.62 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 118.004 0.365 . . . . 0.0 111.723 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.79 -3.37 21.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.905 0.775 . . . . 0.0 111.485 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 123.156 0.582 . . . . 0.0 112.436 -176.392 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 3.8 m-30 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.085 0.469 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.77 149.39 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -138.76 163.31 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 111.353 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -99.02 159.61 14.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -140.33 139.77 35.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.825 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' N ' HD13 ' A' ' 15' ' ' LEU . 93.4 mtt180 -149.85 149.81 31.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.33 -178.33 25.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.519 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.414 HD21 HD11 ' A' ' 83' ' ' ILE . 27.1 mt 61.33 162.02 0.11 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 125.809 1.644 . . . . 0.0 114.135 178.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.34 79.16 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.458 1 C-N-CA 126.478 4.785 . . . . 0.0 114.54 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 6.1 m95 53.69 0.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -151.97 161.72 42.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 120.831 1.651 . . . . 0.0 112.808 -176.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -160.2 -177.35 6.21 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.873 1.269 . . . . 0.0 108.617 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.3 p -143.35 165.43 27.53 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.398 0.545 . . . . 0.0 111.025 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.33 -19.53 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.12 -29.32 24.93 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.109 0.413 . . . . 0.0 111.195 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -79.06 -32.61 44.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.066 0.394 . . . . 0.0 110.227 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -74.88 -37.03 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.464 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -72.17 -26.88 62.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.732 0.696 . . . . 0.0 110.579 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -28.69 62.15 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.271 0.229 . . . . 0.0 110.589 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -84.44 -28.17 27.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.852 0.461 . . . . 0.0 112.09 -174.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -89.28 60.14 5.17 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.2 p -50.42 146.42 5.38 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.134 0.573 . . . . 0.0 110.83 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.33 -10.08 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.179 1.792 . . . . 0.0 114.425 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.78 178.9 5.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 119.52 1.055 . . . . 0.0 110.08 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -140.55 109.26 5.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.527 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -69.75 141.83 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -46.55 -36.19 6.55 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.216 1.006 . . . . 0.0 113.412 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -153.16 9.79 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.324 0.65 . . . . 0.0 111.172 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.97 -121.2 6.17 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.14 3.14 0.46 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.063 0.945 . . . . 0.0 112.546 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.42 15.15 7.71 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.757 0.823 . . . . 0.0 110.842 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.71 -2.42 3.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.23 163.79 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -150.58 161.04 43.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.294 172.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -147.33 172.6 13.63 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.733 0.813 . . . . 0.0 109.184 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 58' ' ' PHE . 33.3 mt . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.404 0.621 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.5 m-85 -138.39 163.8 30.96 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.169 0.988 . . . . 0.0 109.44 173.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.4 t -145.54 119.27 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -81.66 150.75 27.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.7 -171.77 2.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.909 0.385 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.96 -32.05 5.46 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.478 -175.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -152.37 170.15 20.79 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.414 1.107 . . . . 0.0 111.881 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 34.6 tt0 -59.78 -29.22 68.06 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.344 0.657 . . . . 0.0 110.955 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.25 -26.48 63.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.784 -0.573 . . . . 0.0 110.617 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -78.35 -37.62 43.92 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.492 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -39.45 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.76 -46.64 88.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 110.128 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.67 -28.9 68.82 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.33 62.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.349 0.522 . . . . 0.0 111.083 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 mt -84.69 -14.75 47.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.907 0.483 . . . . 0.0 111.467 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.61 -7.25 37.13 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 25.12 4.34 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-O 121.534 0.683 . . . . 0.0 110.445 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -45.11 -12.81 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -148.67 25.13 0.96 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.488 1.494 . . . . 0.0 112.646 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.36 -168.77 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.769 0.713 . . . . 0.0 112.118 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.0 p -141.03 1.22 1.63 Allowed 'General case' 0 C--N 1.335 -0.044 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 57.6 mtt 53.08 10.93 0.19 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.696 0.68 . . . . 0.0 111.433 -171.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.76 6.07 88.46 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.016 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -144.1 -11.0 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.749 1.275 . . . . 0.0 114.269 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.516 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 12.4 tpt180 -154.44 -122.67 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.253 0.933 . . . . 0.0 110.889 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.516 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.4 t80 -162.88 117.51 1.73 Allowed 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.414 HD11 HD21 ' A' ' 18' ' ' LEU . 5.7 mm -121.57 157.18 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -144.65 157.33 44.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.189 0.519 . . . . 0.0 111.438 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.8 153.88 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -153.17 149.58 28.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -73.25 149.72 42.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.112 -0.368 . . . . 0.0 110.113 -175.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 t -140.08 -171.36 3.17 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 3.3 p80 -141.84 -44.1 0.35 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.084 -175.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 133.04 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 128.588 2.755 . . . . 0.0 112.795 171.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.9 m -69.0 -35.74 77.02 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.311 0.505 . . . . 0.0 110.26 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.72 -37.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.1 ttp -63.13 -35.46 80.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.569 0.348 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.82 -27.46 60.3 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.245 -0.284 . . . . 0.0 111.388 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -77.41 -68.38 0.62 Allowed 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.93 -18.85 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -19.03 57.31 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.027 0.531 . . . . 0.0 111.364 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm . . . . . 0 CA--C 1.531 0.231 0 C-N-CA 124.142 0.977 . . . . 0.0 112.238 -178.754 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.2 m-85 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.34 0.591 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.55 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.95 156.57 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.35 0.595 . . . . 0.0 111.506 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -87.25 158.6 19.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.65 133.98 29.77 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -145.45 145.71 31.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.59 -174.09 22.21 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.194 -0.527 . . . . 0.0 114.201 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD21 HD11 ' A' ' 83' ' ' ILE . 24.2 mt 62.91 165.83 0.11 Allowed Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 125.164 1.386 . . . . 0.0 113.394 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 74.7 Cg_exo -51.6 60.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.609 1 C-N-CA 127.384 5.389 . . . . 0.0 116.68 174.479 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.1 m95 58.56 9.24 1.04 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.28 1.432 . . . . 0.0 114.328 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.5 p -158.91 158.78 34.03 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.309 0.504 . . . . 0.0 111.294 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -163.83 -174.84 3.81 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.725 1.21 . . . . 0.0 109.433 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -141.5 167.25 22.62 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.688 0.395 . . . . 0.0 110.95 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.77 -20.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.066 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.17 -26.47 36.0 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.086 0.403 . . . . 0.0 111.683 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -82.62 -35.89 26.6 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.197 0.453 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.98 -34.81 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.198 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.78 -25.68 49.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.468 0.576 . . . . 0.0 110.914 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -25.0 64.24 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 172.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -93.59 -21.4 19.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.125 0.57 . . . . 0.0 111.741 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -109.41 52.38 0.72 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.4 p -62.77 7.8 0.07 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.693 1.597 . . . . 0.0 114.954 -173.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -129.79 -1.22 4.8 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.31 0.504 . . . . 0.0 111.125 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.87 -177.19 5.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.527 0.731 . . . . 0.0 110.728 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -123.45 -16.05 6.94 Favored 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 123.217 0.607 . . . . 0.0 111.413 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.8 mt 54.07 26.04 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.551 1.14 . . . . 0.0 111.778 173.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 61.93 -19.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.606 1.562 . . . . 0.0 114.209 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.9 m-20 -155.15 -28.13 0.11 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.491 1.116 . . . . 0.0 111.435 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 -1.39 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 117.677 0.217 . . . . 0.0 113.283 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -173.33 3.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.064 1.346 . . . . 0.0 110.88 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.66 16.4 3.62 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.16 0.73 14.62 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 175.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.61 156.01 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.985 0.914 . . . . 0.0 109.718 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -151.27 151.22 31.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.193 0.597 . . . . 0.0 109.542 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -147.5 158.8 44.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 109.596 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 -179.533 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -148.35 169.8 19.36 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.758 0.823 . . . . 0.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.3 t -147.1 116.65 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -79.14 150.83 31.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mt -129.77 -172.73 2.84 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.568 0.223 . . . . 0.0 110.69 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.66 -22.54 7.65 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.01 -0.884 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -158.56 173.4 16.67 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 119.045 1.422 . . . . 0.0 111.958 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.3 tt0 -58.71 -31.2 68.04 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.804 0.842 . . . . 0.0 110.438 174.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.0 -30.39 69.63 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 121.943 -0.473 . . . . 0.0 110.693 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.26 -39.38 54.53 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.303 -0.248 . . . . 0.0 110.701 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.6 -39.55 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtm -68.85 -28.69 66.95 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -27.74 62.36 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.392 0.542 . . . . 0.0 110.93 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -80.37 -15.48 56.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 122.836 0.455 . . . . 0.0 111.715 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.47 -8.85 36.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 24.97 3.76 Favored 'General case' 0 C--O 1.228 -0.079 0 CA-C-O 121.324 0.583 . . . . 0.0 110.713 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -48.09 -5.63 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -152.41 20.42 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.998 1.272 . . . . 0.0 113.103 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -70.76 -162.6 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 112.118 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 t -144.19 179.89 6.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.552 0.741 . . . . 0.0 110.997 -174.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtt -125.51 -7.51 6.9 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.548 0.739 . . . . 0.0 111.348 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.62 -4.03 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.343 -0.698 . . . . 0.0 113.722 175.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -147.33 -20.92 0.39 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.399 1.099 . . . . 0.0 112.099 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -158.73 153.72 25.13 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 0.4 OUTLIER -90.17 159.94 16.49 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -172.543 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.49 HD11 HD21 ' A' ' 18' ' ' LEU . 4.9 mm -126.64 162.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -175.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -147.46 159.09 44.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.442 0.639 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.11 152.32 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -154.92 150.07 27.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -71.81 149.69 45.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.397 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.3 t -141.21 -167.47 2.4 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.486 0.315 . . . . 0.0 111.032 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -145.29 -39.19 0.25 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.697 -173.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 126.38 -22.93 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.664 2.786 . . . . 0.0 112.299 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.8 m -69.68 -39.26 77.07 Favored 'General case' 0 C--O 1.23 0.039 0 CA-C-N 118.292 0.497 . . . . 0.0 110.581 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.4 -38.61 78.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -60.0 -46.58 89.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.96 -28.77 68.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -70.51 -57.16 5.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.742 0.417 . . . . 0.0 111.883 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.92 -23.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 119.611 -0.233 . . . . 0.0 111.319 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -8.01 13.37 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.297 0.499 . . . . 0.0 110.923 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 124.175 0.99 . . . . 0.0 111.412 -177.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.185 0.516 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.78 153.42 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.86 165.42 26.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.184 0.516 . . . . 0.0 110.696 176.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -102.54 157.82 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' C ' ' HD2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -138.71 140.68 38.83 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.67 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HD2' ' C ' ' A' ' 15' ' ' LEU . 1.2 mpt_? -145.17 147.57 32.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.83 -173.84 22.97 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.718 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.468 HD21 HD11 ' A' ' 83' ' ' ILE . 31.8 mt 63.43 162.65 0.12 Allowed Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.672 1.589 . . . . 0.0 113.797 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 63.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.525 1 C-N-CA 127.117 5.211 . . . . 0.0 116.581 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 55.58 8.29 0.3 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 113.653 174.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -160.7 156.29 25.22 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.375 0.67 . . . . 0.0 109.924 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -161.28 -179.15 7.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 109.981 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -139.11 162.92 33.76 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.018 0.527 . . . . 0.0 110.299 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -67.18 -16.81 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.75 -27.02 27.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.042 0.383 . . . . 0.0 111.593 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -80.48 -34.85 35.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.51 -39.42 70.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.773 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -71.75 -24.6 61.8 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.063 0.847 . . . . 0.0 110.866 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -25.44 63.74 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.445 0.298 . . . . 0.0 110.982 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -92.91 -25.87 17.86 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.467 0.307 . . . . 0.0 111.724 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 33' ' ' ASP . 2.0 mm? -106.44 50.43 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -64.79 20.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.217 1.407 . . . . 0.0 113.368 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 31' ' ' LEU . 24.6 m-20 -132.59 9.57 4.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.478 0.711 . . . . 0.0 110.857 -178.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.9 p -122.35 -166.14 1.37 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.896 0.478 . . . . 0.0 111.201 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.94 4.43 5.36 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 38' ' ' ASP . 2.7 mp 41.85 34.64 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 125.217 1.407 . . . . 0.0 111.751 -175.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.4 t60 62.17 -26.92 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.302 1.841 . . . . 0.0 114.25 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.5 m-20 -159.3 -22.93 0.07 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.298 1.439 . . . . 0.0 111.182 175.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.68 125.83 0.24 Allowed Glycine 0 C--N 1.338 0.661 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.8 11.91 0.16 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.821 0.848 . . . . 0.0 112.908 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 16.31 1.8 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.037 0.935 . . . . 0.0 111.392 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.09 4.63 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.82 160.54 5.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -151.24 156.77 41.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.57 0.348 . . . . 0.0 110.353 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -145.98 170.61 16.28 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.054 0.942 . . . . 0.0 108.684 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.649 HD11 ' CE2' ' A' ' 58' ' ' PHE . 45.6 mt . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.854 0.359 . . . . 0.0 111.806 -173.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.649 ' CE2' HD11 ' A' ' 46' ' ' ILE . 98.1 m-85 -139.56 168.57 19.52 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.792 1.237 . . . . 0.0 109.144 174.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -146.36 109.81 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -74.46 152.56 39.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.68 -176.56 4.08 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.53 -26.68 7.13 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.787 -1.007 . . . . 0.0 114.308 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.4 m -150.4 167.93 25.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.859 1.33 . . . . 0.0 112.138 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.4 tt0 -59.28 -31.46 69.13 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.891 0.476 . . . . 0.0 110.326 175.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.55 -26.31 66.24 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.444 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -77.08 -41.19 43.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.168 -0.332 . . . . 0.0 110.269 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.37 -40.27 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.06 -44.76 95.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 58.9 mtm -70.35 -26.26 63.65 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.93 -29.71 64.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.582 0.628 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.76 -16.27 55.9 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.308 0.643 . . . . 0.0 111.577 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.38 -8.13 30.41 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 25.96 4.56 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 118.489 0.586 . . . . 0.0 110.458 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -45.21 -17.2 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -140.85 21.85 2.3 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.71 1.595 . . . . 0.0 112.517 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.69 -168.2 0.17 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.679 0.752 . . . . 0.0 112.392 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.4 m -139.76 179.43 6.59 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.884 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.5 mtt -131.38 -31.07 1.65 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 123.934 0.894 . . . . 0.0 110.178 175.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 81' ' ' ARG . . . 139.29 139.77 3.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.7 m80 51.97 -1.27 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.37 1.468 . . . . 0.0 114.598 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.464 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 8.8 tpt180 -162.32 172.38 15.75 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.007 0.923 . . . . 0.0 109.325 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.464 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -134.81 167.05 21.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -172.502 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.468 HD11 HD21 ' A' ' 18' ' ' LEU . 3.4 mm -128.76 161.42 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.518 0.727 . . . . 0.0 110.093 -167.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -143.41 147.58 34.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.41 0.684 . . . . 0.0 110.449 -176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.66 154.25 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.364 0.665 . . . . 0.0 110.244 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -152.52 155.2 36.99 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.34 143.84 31.91 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 121.922 -0.486 . . . . 0.0 111.643 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.7 t -132.63 -177.39 4.46 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.916 -0.49 . . . . 0.0 111.818 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -146.09 6.4 1.01 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.543 0.737 . . . . 0.0 112.092 -174.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 81.14 -28.33 0.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.316 1.447 . . . . 0.0 113.006 171.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.5 m -69.64 -40.0 76.78 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.488 0.586 . . . . 0.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.06 -41.63 86.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.429 ' HG2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 tmm? -58.78 -45.96 88.64 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.377 0.423 . . . . 0.0 110.031 -177.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.83 -28.92 68.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -72.82 -56.23 5.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.42 -22.3 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 122.102 -0.374 . . . . 0.0 111.258 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.71 -5.1 14.4 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.213 0.461 . . . . 0.0 110.94 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.734 0.814 . . . . 0.0 112.338 -175.242 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.88 150.14 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.97 173.41 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 122.102 0.953 . . . . 0.0 110.703 173.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -123.08 139.92 53.57 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.473 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.507 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -124.21 144.38 49.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.992 0.517 . . . . 0.0 110.503 -169.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.507 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -151.55 92.68 1.79 Allowed 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 165.77 35.72 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.294 -1.432 . . . . 0.0 113.808 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 17.2 mt 69.42 164.45 0.13 Allowed Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.737 1.615 . . . . 0.0 112.49 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 93.6 Cg_exo -47.87 -167.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 1 C-N-CA 126.71 4.94 . . . . 0.0 115.423 172.7 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.33 1.01 0.09 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 t -151.06 159.9 44.24 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.893 0.769 . . . . 0.0 111.151 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -158.91 171.37 20.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.148 0.979 . . . . 0.0 109.23 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -143.14 160.46 40.38 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.048 0.539 . . . . 0.0 110.303 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.44 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -68.6 -16.44 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.442 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.72 -26.58 29.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.884 0.311 . . . . 0.0 111.596 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.99 -39.27 30.4 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -67.3 -39.59 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -71.41 -26.08 62.61 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.282 0.947 . . . . 0.0 111.447 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -23.83 62.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.659 0.208 . . . . 0.0 110.739 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 54.2 t80 -88.51 -34.93 17.25 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -83.93 54.56 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -56.61 154.09 9.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.482 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 59.18 -7.98 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.479 1.912 . . . . 0.0 114.115 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.3 m -86.67 -176.4 5.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.732 0.697 . . . . 0.0 110.379 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.1 m -131.32 152.28 50.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' HG22 ' A' ' 36' ' ' ILE . 28.2 mt -122.27 32.52 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 121.56 0.695 . . . . 0.0 110.278 -165.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 t60 63.62 -41.77 0.22 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 113.98 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -151.61 -7.7 0.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.41 1.084 . . . . 0.0 111.75 172.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 96.56 -121.67 7.09 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 4.42 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.893 0.877 . . . . 0.0 112.384 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -122.85 19.34 10.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.352 1.061 . . . . 0.0 110.82 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.18 0.05 4.73 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.05 156.6 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 117.311 0.555 . . . . 0.0 109.559 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 88.7 m-70 -152.65 160.38 43.17 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.599 0.759 . . . . 0.0 109.301 173.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.03 170.14 16.49 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.18 0.592 . . . . 0.0 109.708 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.525 HD11 ' CE2' ' A' ' 58' ' ' PHE . 8.9 mt . . . . . 0 C--N 1.339 0.124 0 CA-C-O 121.33 0.586 . . . . 0.0 111.359 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.437 0.637 . . . . 0.0 112.39 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CE2' HD11 ' A' ' 46' ' ' ILE . 97.4 m-85 -137.33 162.99 32.07 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.146 0.978 . . . . 0.0 108.393 172.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -145.14 110.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.73 149.52 39.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 mt -125.17 -163.97 1.24 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.411 0.284 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -120.36 -20.62 3.56 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.99 -175.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -150.25 168.12 24.97 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 118.887 1.344 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -32.75 71.61 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.306 0.643 . . . . 0.0 109.912 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.78 -29.85 69.91 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.717 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.65 -36.99 57.03 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -70.74 -38.46 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.5 -47.43 84.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.404 0.547 . . . . 0.0 110.195 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.3 mtm -65.71 -28.99 69.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.28 -26.51 61.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.127 0.422 . . . . 0.0 111.632 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.1 mt -82.06 -14.57 55.67 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.314 0.646 . . . . 0.0 111.951 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -68.2 -1.14 5.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -130.38 22.78 5.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 123.305 0.642 . . . . 0.0 110.523 -178.904 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -48.2 -9.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 28.5 ptt-85 -162.29 21.66 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.227 1.376 . . . . 0.0 113.52 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -72.67 -164.24 0.15 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.321 0.51 . . . . 0.0 110.783 174.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.507 ' C ' ' H ' ' A' ' 79' ' ' GLY . 78.6 p -119.76 -0.14 10.78 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -163.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 50.3 ttm 64.11 -24.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.937 1.295 . . . . 0.0 112.002 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 136.92 -20.64 3.41 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.775 0.702 . . . . 0.0 111.886 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -149.14 3.27 0.59 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.632 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 9.9 tpt180 -147.58 -132.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.054 0.843 . . . . 0.0 110.697 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.632 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.6 t80 -159.51 123.56 3.83 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 6.1 mm -122.26 168.28 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -148.25 151.49 35.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -145.43 150.33 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.88 161.13 41.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 171.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -68.27 155.91 38.76 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t -135.53 -179.95 5.96 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -154.09 18.96 0.5 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.939 -0.476 . . . . 0.0 111.827 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.6 ttm105 70.23 -35.49 0.32 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.575 1.55 . . . . 0.0 113.595 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.9 m -64.28 -37.73 88.54 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 119.188 0.904 . . . . 0.0 110.133 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -70.13 -41.22 74.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.5 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 60.3 ttp -60.55 -47.58 85.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.49 -28.64 69.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.352 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -79.76 -21.62 44.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.43 -10.66 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 118.323 0.511 . . . . 0.0 111.993 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -11.32 13.68 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.754 -0.591 . . . . 0.0 110.546 172.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm . . . . . 0 CA--C 1.533 0.319 0 C-N-CA 124.661 1.184 . . . . 0.0 111.384 174.44 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.525 0.202 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -144.63 15.56 1.6 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.515 0.726 . . . . 0.0 110.738 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.67 17.98 1.83 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.925 0.89 . . . . 0.0 110.922 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.24 -178.36 34.16 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.97 165.39 31.36 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.911 3.074 . . . . 0.0 111.659 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -147.25 176.19 10.18 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.186 0.994 . . . . 0.0 110.217 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.64 13.08 0.27 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.32 178.34 45.31 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.37 16.02 1.48 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.302 0.641 . . . . 0.0 111.161 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.55 168.31 30.99 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.8 m-30 -87.85 48.32 1.63 Allowed 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.553 0.741 . . . . 0.0 109.699 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.9 150.5 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 -177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.82 157.83 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 CA-C-O 121.301 0.572 . . . . 0.0 111.4 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.34 161.15 16.5 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.059 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.504 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -140.96 147.3 38.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' H ' HD13 ' A' ' 15' ' ' LEU . 35.6 ttm180 -154.13 147.24 24.65 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.62 -163.16 21.43 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.781 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 31.6 mt 66.62 174.29 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 124.807 1.243 . . . . 0.0 110.545 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 71.1 Cg_exo -51.61 177.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.902 3.068 . . . . 0.0 112.873 173.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.567 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 3.4 m95 -54.2 -18.17 3.58 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.009 -0.432 . . . . 0.0 112.068 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -147.62 160.15 42.98 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.592 0.757 . . . . 0.0 110.186 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 p -155.47 -174.27 4.9 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.086 0.954 . . . . 0.0 109.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.19 164.28 28.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.035 0.445 . . . . 0.0 110.786 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.441 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -65.33 -17.08 21.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 116.368 -0.378 . . . . 0.0 112.007 -175.016 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.78 -25.66 35.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 117.806 0.276 . . . . 0.0 111.276 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.43 -39.21 32.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.04 -39.37 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.876 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -71.14 -26.06 62.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.951 0.796 . . . . 0.0 111.135 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -26.28 63.91 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.59 0.177 . . . . 0.0 110.911 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -83.64 -27.86 28.82 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.67 52.2 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 8.83 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.828 1.651 . . . . 0.0 114.816 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -124.79 5.08 8.11 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.1 0.56 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.6 m -126.08 -177.0 3.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.452 0.701 . . . . 0.0 111.397 -170.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.7 m -130.96 142.4 50.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.4 mp -99.07 43.15 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.15 0.58 . . . . 0.0 109.684 -173.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 t60 63.1 -42.58 0.2 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.184 1.793 . . . . 0.0 113.978 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -148.58 -2.33 0.5 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.724 1.21 . . . . 0.0 110.843 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 98.29 -127.06 9.11 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 5.93 0.16 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.809 0.844 . . . . 0.0 112.201 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -119.07 16.74 13.3 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.402 1.081 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.55 3.08 2.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.61 160.08 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 117.493 0.646 . . . . 0.0 109.669 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -151.7 159.26 44.05 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.597 0.759 . . . . 0.0 109.575 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -149.23 169.95 19.59 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.603 0.761 . . . . 0.0 109.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 58' ' ' PHE . 9.0 mt -135.09 138.4 48.93 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -157.45 -179.08 7.84 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 122.889 0.475 . . . . 0.0 110.878 -173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.0 p -139.04 165.27 27.57 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 110.914 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -63.54 -21.01 66.1 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.123 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -55.72 -32.59 63.47 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.97 30.79 1.54 Allowed Glycine 0 CA--C 1.531 1.035 0 CA-C-O 119.165 -0.797 . . . . 0.0 114.629 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -156.0 163.61 39.49 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.851 1.326 . . . . 0.0 109.698 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -73.84 153.62 39.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -71.2 -19.61 62.37 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.73 1.0 21.42 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -140.87 169.01 18.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.416 0.627 . . . . 0.0 111.542 -172.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.6 -176.67 5.14 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.225 1.01 . . . . 0.0 110.107 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 46' ' ' ILE . 84.8 m-85 -139.2 165.98 25.74 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.1 t -143.7 110.74 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -72.14 151.89 42.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -131.42 -176.76 4.13 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.4 -33.09 6.06 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.193 -0.782 . . . . 0.0 113.904 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.5 m -151.83 171.26 18.02 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.329 1.064 . . . . 0.0 111.827 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 38.9 tt0 -60.06 -28.9 68.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.295 0.638 . . . . 0.0 110.79 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.78 -28.63 65.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.838 -0.539 . . . . 0.0 110.503 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.85 -37.09 56.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.258 -0.277 . . . . 0.0 110.618 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -39.44 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.46 -46.13 91.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.261 0.482 . . . . 0.0 110.389 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.1 mtm -68.22 -25.84 65.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.29 64.77 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.338 0.517 . . . . 0.0 110.942 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 mt -79.25 -16.34 56.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 111.914 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.96 -6.85 24.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.09 28.32 3.47 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-O 121.302 0.572 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -44.82 -14.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.2 mtp-105 -148.02 21.96 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.111 1.323 . . . . 0.0 112.402 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -71.1 -166.29 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.642 0.656 . . . . 0.0 112.528 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -146.04 153.45 40.75 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.627 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.2 mtt -77.33 -24.31 50.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.6 -16.91 3.76 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.663 -0.521 . . . . 0.0 112.878 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -139.22 -5.72 1.43 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.816 0.808 . . . . 0.0 111.471 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 81' ' ' ARG . 11.9 tpt180 -155.51 163.5 39.93 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.409 ' C ' HD12 ' A' ' 83' ' ' ILE 0.275 0.1 OUTLIER -114.57 163.83 14.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.653 0.661 . . . . 0.0 112.705 -174.284 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 84' ' ' GLU . 4.8 mp -136.16 166.36 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -169.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 83' ' ' ILE . 14.3 mt-10 -142.91 147.56 35.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.636 0.774 . . . . 0.0 110.008 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.27 153.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.48 ' HB2' " H2'" ' B' ' 6' ' ' ' U' . 34.3 t80 -156.98 155.96 32.17 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -75.05 153.05 38.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.81 0.338 . . . . 0.0 110.583 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -142.69 -175.69 4.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.11 0.481 . . . . 0.0 111.178 -177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -146.87 9.6 1.01 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.521 0.728 . . . . 0.0 111.53 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 74.9 -25.43 0.2 Allowed 'General case' 0 C--N 1.339 0.144 0 C-N-CA 125.476 1.51 . . . . 0.0 113.873 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.2 m -68.79 -38.96 80.35 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 118.756 0.707 . . . . 0.0 109.743 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.85 -37.5 79.16 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -58.28 -46.69 85.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -69.0 -30.02 68.34 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.456 0.302 . . . . 0.0 111.676 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -68.88 -19.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 112.801 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.0 -20.81 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 118.427 0.558 . . . . 0.0 111.62 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.82 -6.49 27.22 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.637 0.653 . . . . 0.0 111.426 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -136.89 12.19 3.12 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.514 0.726 . . . . 0.0 112.029 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -148.11 9.51 0.87 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.995 0.361 . . . . 0.0 111.853 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.9 p -58.47 152.8 17.23 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.011 -0.431 . . . . 0.0 111.231 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.87 174.38 45.9 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 C--O 1.251 1.126 0 C-N-CA 124.111 3.208 . . . . 0.0 111.085 179.876 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.528 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 N19-C1'-C2' 119.39 3.744 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.567 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.406 -3.885 1 P-O3'-C3' 124.954 4.378 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 O4'-C1'-N19 112.538 4.338 . 0.386 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 1 O4'-C1'-N19 112.89 4.69 . 0.065 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.503 " H4'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 C4'-C3'-C2' 100.835 -1.865 . 0.194 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.503 " H5'" " H4'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 O4'-C1'-N19 112.569 4.369 . 0.02 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.2 ptp -154.2 168.56 26.12 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.828 0.451 . . . . 0.0 110.477 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -145.12 167.71 22.08 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.03 0.932 . . . . 0.0 109.265 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.4 -179.89 44.51 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.26 174.29 10.99 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.547 3.498 . . . . 0.0 110.917 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -141.38 11.46 2.12 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.998 0.519 . . . . 0.0 111.855 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.96 7.13 0.38 Allowed Glycine 0 CA--C 1.527 0.821 0 O-C-N 122.003 -0.435 . . . . 0.0 112.725 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.27 179.81 45.38 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -141.56 10.68 2.06 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.19 0.495 . . . . 0.0 111.214 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.68 -7.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.353 -0.693 . . . . 0.0 114.101 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 56.08 44.46 25.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.399 1.08 . . . . 0.0 110.146 -175.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.64 151.41 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -139.68 159.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.123 0.487 . . . . 0.0 110.822 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -89.66 161.4 16.13 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.86 131.21 35.02 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -138.9 163.19 32.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -173.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.85 -141.29 15.51 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 20' ' ' TRP . 12.5 mt 71.13 160.96 0.16 Allowed Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 124.134 0.973 . . . . 0.0 109.847 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.54 30.66 0.24 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.987 3.125 . . . . 0.0 110.945 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.6 ' CH2' " O4'" ' B' ' 1' ' ' ' A' . 6.3 m0 52.43 27.83 5.3 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.067 0.947 . . . . 0.0 111.848 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.5 t -148.83 128.97 13.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.4 t -165.12 174.01 10.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.543 0.337 . . . . 0.0 110.519 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.65 162.49 33.0 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.17 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -15.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -83.88 -26.19 29.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.835 0.289 . . . . 0.0 111.614 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.06 -34.35 32.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.7 -41.56 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.614 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -67.9 -25.92 65.73 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.786 0.721 . . . . 0.0 110.594 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -29.19 65.89 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.581 0.352 . . . . 0.0 111.478 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -82.87 -26.06 31.94 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -103.4 45.39 0.96 Allowed 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -59.71 -21.06 60.12 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.22 -20.49 32.21 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 119.029 0.831 . . . . 0.0 110.761 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.3 m -85.79 -177.3 6.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.211 1.004 . . . . 0.0 111.084 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 m -138.59 111.6 7.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp -69.36 140.45 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -46.56 -34.7 5.12 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.386 1.075 . . . . 0.0 113.611 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -152.28 9.61 0.49 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.244 0.617 . . . . 0.0 111.094 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.4 -119.98 5.69 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.0 2.48 0.52 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.066 0.946 . . . . 0.0 112.628 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.19 16.24 8.41 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.719 0.808 . . . . 0.0 110.862 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.98 -0.97 4.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.2 159.36 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -152.74 160.06 43.13 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.024 0.53 . . . . 0.0 110.091 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -148.28 172.43 14.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.136 0.974 . . . . 0.0 109.073 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 58' ' ' PHE . 42.5 mt -136.16 102.94 3.31 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -175.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -159.49 -174.89 4.88 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.724 0.809 . . . . 0.0 109.887 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.1 p -135.63 161.43 35.55 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 121.796 0.808 . . . . 0.0 112.075 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.54 3.36 6.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.196 1.398 . . . . 0.0 113.327 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -149.62 18.08 0.91 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.904 0.482 . . . . 0.0 111.393 -178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.52 -134.59 3.55 Favored Glycine 0 C--N 1.337 0.627 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 54' ' ' SER . 90.2 mmt-85 -143.03 177.33 8.44 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.707 0.803 . . . . 0.0 110.221 -175.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' A' ' 55' ' ' GLY . 27.8 tp60 -75.56 37.31 0.14 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.111 0.964 . . . . 0.0 110.109 175.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 52' ' ' ARG . 73.7 p -68.04 24.75 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.21 1.404 . . . . 0.0 112.879 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 53' ' ' GLN . . . -140.32 -164.46 9.91 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.251 -1.139 . . . . 0.0 110.251 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -112.64 -154.02 0.53 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.614 0.766 . . . . 0.0 109.916 -175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.68 175.65 12.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.666 0.386 . . . . 0.0 111.076 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.526 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.7 m-85 -140.9 168.12 20.55 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.421 0.689 . . . . 0.0 110.517 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.2 t -146.37 118.04 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.148 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -78.34 149.34 33.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -125.85 -172.98 2.73 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.258 0.481 . . . . 0.0 111.912 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.19 -26.11 8.51 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 119.132 -0.815 . . . . 0.0 113.935 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 t -159.85 174.09 14.97 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 118.695 1.248 . . . . 0.0 111.869 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 33.7 tt0 -59.72 -30.69 68.99 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.669 0.787 . . . . 0.0 110.547 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.81 -29.1 67.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.954 -0.466 . . . . 0.0 110.443 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -77.19 -37.01 54.45 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.506 -0.283 . . . . 0.0 110.636 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -69.34 -38.77 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.289 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.34 -47.0 87.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 118.269 0.486 . . . . 0.0 110.289 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.6 mtm -66.56 -28.9 68.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.39 -29.57 65.09 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.317 0.508 . . . . 0.0 110.975 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.6 mt -80.72 -14.35 58.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.181 0.592 . . . . 0.0 111.669 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.79 -8.45 43.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 28.21 3.65 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-O 121.272 0.558 . . . . 0.0 110.356 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -47.14 -10.47 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -155.35 28.02 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.88 1.218 . . . . 0.0 112.722 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.77 -160.53 0.09 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.652 0.739 . . . . 0.0 111.584 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -144.06 148.94 35.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 110.256 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.46 -12.9 61.63 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.87 -13.84 4.42 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -154.47 4.28 0.25 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.56 0.68 . . . . 0.0 112.753 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -150.2 140.49 22.25 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.053 0.842 . . . . 0.0 111.94 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.13 116.76 10.87 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.076 1.751 . . . . 0.0 110.221 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.4 mm -113.02 159.94 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -146.4 157.07 43.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.199 0.523 . . . . 0.0 111.611 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.83 148.26 19.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -148.63 152.77 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -70.85 149.17 47.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 122.036 -0.415 . . . . 0.0 111.09 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -144.25 178.78 7.66 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.387 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -148.06 13.12 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.232 0.613 . . . . 0.0 111.567 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 73.98 -25.83 0.19 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.558 1.543 . . . . 0.0 114.117 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -70.32 -38.92 75.03 Favored 'General case' 0 C--N 1.335 -0.039 0 CA-C-N 118.936 0.789 . . . . 0.0 109.622 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.9 -37.56 81.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.6 ttp -57.14 -47.63 80.66 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.01 -28.3 68.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.729 0.412 . . . . 0.0 111.769 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -73.4 -20.35 60.76 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.76 -17.81 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 118.229 0.468 . . . . 0.0 111.984 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -9.28 19.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.712 0.687 . . . . 0.0 111.469 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.84 -13.32 43.78 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.8 m170 145.43 -45.85 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 128.691 2.797 . . . . 0.0 109.479 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 101' ' ' GLY . 93.8 p -168.25 -7.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.294 0.638 . . . . 0.0 111.629 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 100' ' ' SER . . . 170.34 178.33 41.11 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 178.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 124.796 3.664 . . . . 0.0 112.905 177.939 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.6 " O4'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.416 -3.064 3 O4'-C1'-N19 117.142 8.942 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.796 2 C1'-O4'-C4' 103.016 -7.316 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C1'-O4'-C4' 106.207 -3.77 OUTLIER-DELTA 0.257 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.435 " H3'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.779 2 C5'-C4'-C3' 107.753 -5.165 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.491 " O3'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 110.867 2.667 . 0.201 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.491 " H3'" " O3'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.093 0 O4'-C1'-N19 111.63 3.43 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.536 ' HG3' ' H ' ' A' ' 4' ' ' GLY . 12.9 tpt -151.18 168.53 24.41 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -131.04 14.21 5.2 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.343 0.657 . . . . 0.0 111.765 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.536 ' H ' ' HG3' ' A' ' 2' ' ' MET . . . -174.23 168.94 41.88 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.16 -1.63 11.2 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 124.121 3.214 . . . . 0.0 112.107 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -69.85 -2.05 11.14 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.228 0.611 . . . . 0.0 111.922 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.38 176.88 45.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.61 179.87 48.8 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -142.64 14.18 1.95 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.807 0.443 . . . . 0.0 111.431 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.7 161.27 33.1 Favored Glycine 0 CA--C 1.525 0.694 0 O-C-N 122.018 -0.426 . . . . 0.0 112.246 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 9.9 m-85 -90.77 52.93 2.28 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.466 1.106 . . . . 0.0 109.911 178.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.429 HG21 ' CG ' ' A' ' 90' ' ' ARG . 90.9 t -133.59 153.33 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.18 157.88 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.356 0.598 . . . . 0.0 111.03 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.83 162.5 15.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.906 0.882 . . . . 0.0 108.662 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.25 138.08 33.0 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -145.96 164.09 33.12 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.25 -134.58 12.2 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.41 159.07 0.16 Allowed Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 124.162 0.985 . . . . 0.0 110.773 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.21 -179.17 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 124.059 3.173 . . . . 0.0 112.21 171.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.59 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 0.0 OUTLIER -59.62 -8.94 2.21 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.154 -0.341 . . . . 0.0 111.664 176.053 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -152.72 159.16 43.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.474 0.71 . . . . 0.0 110.519 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 t -163.3 -178.77 6.14 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.802 0.441 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -146.93 168.15 22.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.229 0.538 . . . . 0.0 111.228 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.417 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -67.11 -15.1 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.062 -175.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -84.51 -27.13 27.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.905 0.32 . . . . 0.0 111.45 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -80.77 -34.91 33.85 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.006 0.366 . . . . 0.0 110.019 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.35 -41.69 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.71 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.91 -24.59 63.41 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.941 0.791 . . . . 0.0 110.998 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -26.77 63.83 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 122.153 0.181 . . . . 0.0 110.931 174.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.06 -35.94 17.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.48 67.99 7.64 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -53.66 150.64 6.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.867 0.867 . . . . 0.0 111.655 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.47 -3.39 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.447 1.899 . . . . 0.0 114.516 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.2 m -91.42 -176.53 4.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.681 0.673 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.2 m -137.11 152.23 49.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.3 mp -110.0 41.97 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 CA-C-O 121.378 0.608 . . . . 0.0 109.566 -174.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.5 t60 61.14 -27.34 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.199 1.799 . . . . 0.0 114.581 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' ILE . 24.3 m-20 -157.8 -27.23 0.08 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.37 1.468 . . . . 0.0 110.597 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.54 128.69 0.41 Allowed Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -174.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.99 10.8 0.12 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.886 0.874 . . . . 0.0 112.811 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.13 16.99 1.91 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.326 1.05 . . . . 0.0 111.206 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 5.03 2.05 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.01 160.19 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 117.495 0.647 . . . . 0.0 109.724 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 71.3 m-70 -152.35 160.25 43.34 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.763 0.825 . . . . 0.0 109.114 172.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -146.27 169.48 18.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.437 0.695 . . . . 0.0 109.51 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 58' ' ' PHE . 6.3 mt -137.43 144.91 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -158.68 -178.39 7.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.844 0.858 . . . . 0.0 109.226 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.1 p -141.33 171.9 13.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.952 0.501 . . . . 0.0 110.221 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -60.33 -23.92 64.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.445 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -166.84 95.42 0.51 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.871 0.868 . . . . 0.0 110.138 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.94 -58.05 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.145 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -161.2 175.91 11.83 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 117.626 0.713 . . . . 0.0 110.952 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -151.51 146.56 25.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.944 0.498 . . . . 0.0 109.743 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.8 p 36.34 49.08 0.64 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.128 1.371 . . . . 0.0 113.609 176.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.29 2.22 6.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 46' ' ' ILE . 55.9 tt0 -155.06 137.5 15.01 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . -165.25 -176.96 4.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.412 0.625 . . . . 0.0 112.457 -169.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CE2' HD11 ' A' ' 46' ' ' ILE . 99.9 m-85 -136.85 162.45 33.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.006 0.923 . . . . 0.0 108.936 172.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -144.0 104.86 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.18 152.84 43.82 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.8 -174.2 3.24 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.1 -22.62 9.11 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 119.117 -0.824 . . . . 0.0 114.044 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 t -160.3 173.36 15.8 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.849 1.325 . . . . 0.0 111.994 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.2 tt0 -59.32 -29.19 67.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.918 0.887 . . . . 0.0 110.524 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.06 -30.0 66.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.959 -0.463 . . . . 0.0 110.533 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -75.86 -36.74 59.48 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.243 -0.285 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.6 -38.03 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.77 -46.65 87.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.268 0.485 . . . . 0.0 110.346 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 51.5 mtm -66.48 -27.19 67.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.3 -30.15 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.087 0.403 . . . . 0.0 111.043 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.7 mt -79.36 -14.48 58.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.084 0.554 . . . . 0.0 111.719 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -68.32 -7.46 31.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 27.68 3.98 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.362 0.528 . . . . 0.0 110.465 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.41 -11.96 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -150.8 23.93 0.77 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.246 1.384 . . . . 0.0 112.286 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -69.39 -164.53 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.583 -0.698 . . . . 0.0 112.161 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -142.71 178.91 7.31 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.388 0.675 . . . . 0.0 111.83 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 56.7 mtt -117.87 -12.63 10.15 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.133 0.573 . . . . 0.0 111.71 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.19 -21.67 4.57 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-O 119.724 -0.487 . . . . 0.0 112.861 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -142.18 -2.61 1.13 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.635 0.717 . . . . 0.0 111.64 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 12.5 tpt180 -155.95 166.65 32.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.452 ' CE1' ' C4 ' ' B' ' 3' ' ' ' G' 0.275 1.5 p90 -115.39 162.88 16.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.74 0.781 . . . . 0.0 112.538 -177.471 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 mm -130.55 165.61 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -169.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -147.31 151.17 36.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 110.527 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.61 147.01 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -148.52 157.38 43.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.1 151.53 26.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.753 -0.592 . . . . 0.0 111.245 -173.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -141.26 -179.98 6.43 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.575 0.35 . . . . 0.0 111.677 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -152.29 17.17 0.64 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.342 0.657 . . . . 0.0 112.512 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' CG ' HG21 ' A' ' 12' ' ' VAL . 67.7 mtt85 74.3 -32.66 0.23 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.085 1.754 . . . . 0.0 113.939 174.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 37.1 m -62.64 -39.35 93.58 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 119.003 0.82 . . . . 0.0 110.239 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.01 -39.88 72.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.5 ttp -62.22 -40.97 97.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.535 0.334 . . . . 0.0 110.632 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.64 -28.37 66.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.361 0.265 . . . . 0.0 111.71 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -78.06 -63.74 1.32 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.14 -21.22 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -172.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.63 -12.69 35.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.408 0.549 . . . . 0.0 111.526 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -140.38 8.84 2.24 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.325 0.65 . . . . 0.0 112.601 -176.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -141.39 11.23 2.12 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.6 t -60.96 157.7 14.86 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.119 0.418 . . . . 0.0 110.562 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -178.09 -177.49 46.87 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.062 -1.308 . . . . 0.0 111.457 -0.22 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.59 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 N19-C1'-C2' 119.119 3.574 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.453 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.408 -3.731 2 C1'-O4'-C4' 105.313 -4.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.452 ' C4 ' ' CE1' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C1'-O4'-C4' 106.218 -3.758 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 O4'-C1'-N19 113.103 4.903 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.412 " O3'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C4'-C3'-C2' 100.747 -1.953 . 0.425 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.412 " H3'" " O3'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.622 2.866 0 C5'-C4'-O4' 113.782 3.273 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.2 ttt -150.28 158.22 43.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.038 0.535 . . . . 0.0 109.69 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 3' ' ' LEU . 2.0 pp -151.1 -179.5 7.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.37 0.668 . . . . 0.0 110.398 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.99 -176.31 42.32 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.63 -3.16 12.98 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 124.073 3.182 . . . . 0.0 111.946 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -153.15 177.19 11.1 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.244 0.617 . . . . 0.0 110.502 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.31 179.58 42.39 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.81 172.18 39.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -145.33 12.77 1.38 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.078 0.551 . . . . 0.0 111.262 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.76 158.07 29.89 Favored Glycine 0 CA--C 1.526 0.778 0 O-C-N 122.047 -0.408 . . . . 0.0 112.444 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.1 m-85 -89.41 56.59 3.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 124.427 1.091 . . . . 0.0 109.86 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.42 152.53 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.67 171.71 14.7 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -110.2 162.97 14.08 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 123.278 0.631 . . . . 0.0 109.362 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 138.43 37.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -148.02 148.48 30.76 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 124.974 1.31 . . . . 0.0 107.589 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.7 -177.25 22.59 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.336 -0.459 . . . . 0.0 112.381 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 83' ' ' ILE . 36.9 mt 59.08 154.69 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 125.17 1.388 . . . . 0.0 114.039 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.56 86.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 1 C-N-CA 125.835 4.357 . . . . 0.0 114.22 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 50.79 4.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 176.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -155.46 159.61 39.95 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 121.148 1.795 . . . . 0.0 113.223 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -161.22 171.97 17.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.99 1.316 . . . . 0.0 108.749 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -142.85 166.83 23.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.0 0.52 . . . . 0.0 110.324 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.77 -21.09 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.62 -24.9 33.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 119.691 -0.195 . . . . 0.0 111.152 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -83.79 -38.51 21.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.17 -35.2 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 119.799 -0.143 . . . . 0.0 110.776 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.12 -26.17 56.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.093 0.406 . . . . 0.0 110.326 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -15.99 62.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.235 0.614 . . . . 0.0 111.49 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -108.13 -26.93 10.38 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 7.8 mp -87.27 50.63 2.05 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 173.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.5 m -64.72 9.72 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.466 1.506 . . . . 0.0 113.883 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -134.89 6.28 3.4 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.276 0.63 . . . . 0.0 110.1 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 59.2 m -131.55 177.42 7.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.958 0.903 . . . . 0.0 110.981 -169.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.4 m -131.69 149.88 52.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 36' ' ' ILE . 24.6 mt -116.98 41.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.81 0.814 . . . . 0.0 109.481 -166.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.5 t60 60.62 -19.93 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.914 1.685 . . . . 0.0 113.896 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.6 m-20 -155.24 -36.97 0.09 Allowed 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 125.414 1.486 . . . . 0.0 109.472 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.9 -39.45 2.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 124.166 0.889 . . . . 0.0 111.473 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.69 11.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 110.422 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -127.77 16.63 6.9 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.225 0.61 . . . . 0.0 111.099 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.1 5.08 6.86 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.33 160.31 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 123.236 0.615 . . . . 0.0 109.913 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -151.84 161.62 42.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.725 0.81 . . . . 0.0 109.186 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -146.34 167.97 22.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.449 HD11 ' CE2' ' A' ' 58' ' ' PHE . 9.4 mt -129.73 141.34 46.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.095 -173.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -159.4 171.32 19.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.82 0.848 . . . . 0.0 109.78 -174.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.7 p -146.36 173.64 12.08 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.109 0.563 . . . . 0.0 110.356 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 1.4 9.28 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -160.65 38.72 0.16 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.429 0.633 . . . . 0.0 109.819 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.58 -127.9 5.11 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.22 11.17 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.301 0.641 . . . . 0.0 112.31 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 57.96 -5.33 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.365 1.866 . . . . 0.0 116.033 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -167.79 160.11 12.23 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 119.313 0.96 . . . . 0.0 110.636 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.25 -16.35 1.32 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 177.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -145.91 157.0 43.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.489 1.115 . . . . 0.0 109.284 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.56 174.58 11.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.413 0.625 . . . . 0.0 112.184 -174.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CE2' HD11 ' A' ' 46' ' ' ILE . 99.6 m-85 -132.18 162.77 30.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.16 0.984 . . . . 0.0 108.7 171.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.5 t -143.64 109.0 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.37 149.1 42.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -127.19 -171.38 2.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.734 0.302 . . . . 0.0 110.52 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.77 -32.19 5.16 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.223 -0.765 . . . . 0.0 113.499 -175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -152.42 170.51 19.94 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.284 1.042 . . . . 0.0 111.734 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.446 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.3 tt0 -59.03 -30.13 67.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.255 0.622 . . . . 0.0 110.557 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.5 -27.11 65.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.965 -0.459 . . . . 0.0 110.79 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.96 -38.03 38.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 122.025 -0.422 . . . . 0.0 110.575 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.77 -41.54 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.6 -45.84 92.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 117.919 0.327 . . . . 0.0 110.496 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.4 mtm -71.37 -27.34 63.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.96 68.61 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.607 0.639 . . . . 0.0 110.209 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.4 mt -78.81 -17.93 54.9 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.846 0.458 . . . . 0.0 111.231 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.3 -7.92 41.48 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 22.63 5.69 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.845 0.748 . . . . 0.0 111.273 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -48.44 -0.46 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -151.65 11.84 0.6 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.272 1.396 . . . . 0.0 111.83 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.99 -163.5 0.11 Allowed 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.702 0.763 . . . . 0.0 112.302 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.3 t -142.11 150.2 40.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.881 0.872 . . . . 0.0 110.071 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.7 mtt -74.79 -9.73 58.83 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.568 0.347 . . . . 0.0 110.497 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.53 -14.0 5.86 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -143.92 -9.01 0.7 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -158.07 145.66 18.32 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 118.925 0.784 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.15 139.06 50.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.383 1.873 . . . . 0.0 111.875 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.461 HD11 HD21 ' A' ' 18' ' ' LEU . 21.8 mm -128.46 165.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 125.263 1.425 . . . . 0.0 108.039 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 83' ' ' ILE . 12.5 mt-10 -143.8 153.41 42.36 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.731 0.301 . . . . 0.0 110.669 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 t -141.98 136.45 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.554 ' CE2' " H5'" ' B' ' 6' ' ' ' U' . 10.3 t80 -133.36 151.33 51.84 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -173.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -78.1 144.54 36.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.639 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -140.54 -179.2 5.89 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.737 0.415 . . . . 0.0 110.799 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -149.29 12.09 0.82 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.525 0.73 . . . . 0.0 111.52 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 76.48 -29.42 0.18 Allowed 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.658 1.583 . . . . 0.0 113.417 172.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.8 m -66.63 -38.75 87.56 Favored 'General case' 0 N--CA 1.459 0.023 0 CA-C-N 118.73 0.695 . . . . 0.0 110.124 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.73 -41.15 79.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -59.56 -45.08 92.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -29.97 70.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.478 0.311 . . . . 0.0 111.709 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -73.07 -57.59 3.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.32 -26.07 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.25 -7.43 42.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.785 0.721 . . . . 0.0 111.118 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -138.88 8.08 2.52 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -173.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -150.21 12.66 0.75 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.158 0.436 . . . . 0.0 112.03 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.1 p -58.9 157.44 9.79 Favored 'General case' 0 C--O 1.231 0.13 0 O-C-N 121.923 -0.486 . . . . 0.0 111.379 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 178.77 176.67 46.82 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo . . . . . 0 C--O 1.251 1.151 0 C-N-CA 124.955 3.77 . . . . 0.0 112.822 177.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 2 O4'-C1'-N19 115.438 7.238 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.585 0 C5'-C4'-C3' 112.055 -2.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.967 1 O4'-C1'-N19 112.63 4.43 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 1 O4'-C1'-N19 112.919 4.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.442 ' N3 ' " H2'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C4'-C3'-C2' 100.576 -2.124 . 0.093 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.554 " H5'" ' CE2' ' A' ' 86' ' ' PHE . . . . . . . . 0 P--O5' 1.621 2.812 0 C5'-C4'-C3' 110.256 -3.496 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 42.4 ttp -155.57 6.68 0.23 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.772 0.429 . . . . 0.0 111.273 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.1 tp -138.35 9.55 2.71 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.961 -0.462 . . . . 0.0 110.951 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.48 50.07 0.21 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.516 -0.602 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.17 -2.41 8.87 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.951 2.434 . . . . 0.0 111.803 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -69.43 -16.69 63.54 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.846 0.458 . . . . 0.0 111.712 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.18 -13.47 0.37 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-O 119.515 -0.603 . . . . 0.0 113.832 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.08 172.88 45.08 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 118.653 1.226 . . . . 0.0 112.29 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' H ' ' HB3' ' A' ' 89' ' ' HIS . 63.6 mt-10 -140.21 21.15 2.42 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.398 0.679 . . . . 0.0 111.369 -173.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.35 169.42 23.06 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 4.7 m-30 -86.39 44.41 1.14 Allowed 'General case' 0 C--N 1.334 -0.074 0 C-N-CA 123.298 0.639 . . . . 0.0 109.497 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -132.08 149.14 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.87 159.15 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-O 121.381 0.61 . . . . 0.0 111.982 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -91.2 158.35 16.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.774 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.79 124.42 16.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -134.59 162.43 32.3 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 -147.57 16.29 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.943 -0.365 . . . . 0.0 112.27 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER 38.82 95.31 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 126.655 1.982 . . . . 0.0 114.555 177.464 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 20' ' ' TRP . 60.9 Cg_endo -69.7 111.38 2.78 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.739 2.959 . . . . 0.0 110.067 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 70.3 m95 -137.6 2.93 2.49 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 126.02 1.728 . . . . 0.0 110.672 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -158.61 165.63 34.01 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.073 0.549 . . . . 0.0 110.395 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.13 -173.19 4.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.891 0.876 . . . . 0.0 109.548 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -109.85 164.09 12.91 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -17.77 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.082 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -79.21 -24.94 42.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.669 0.388 . . . . 0.0 111.455 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.19 -38.72 26.59 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.37 -36.56 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.55 -26.36 61.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.46 0.573 . . . . 0.0 110.619 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -28.98 65.3 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.462 0.305 . . . . 0.0 110.992 176.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -85.46 -30.74 23.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.52 66.66 8.22 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 p -49.99 145.46 5.65 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.44 0.696 . . . . 0.0 111.477 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 56.58 -5.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.42 1.888 . . . . 0.0 114.893 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.7 176.25 8.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 119.306 0.957 . . . . 0.0 110.368 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -139.74 111.47 7.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' ' 36' ' ' ILE . 4.8 mp -72.76 145.08 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -51.16 -20.84 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -146.62 -15.16 0.43 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.463 0.574 . . . . 0.0 112.533 175.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.64 0.15 87.99 Favored Glycine 0 C--N 1.338 0.663 0 CA-C-N 118.494 0.588 . . . . 0.0 113.604 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 41' ' ' ALA . . . -179.9 0.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.971 1.308 . . . . 0.0 111.096 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 40' ' ' ALA . . . -133.81 12.73 4.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.447 0.299 . . . . 0.0 111.559 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.57 0.67 18.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.78 158.7 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -151.97 162.96 40.25 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.282 0.633 . . . . 0.0 109.315 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.92 168.63 23.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.674 0.789 . . . . 0.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.511 HD11 ' CE2' ' A' ' 58' ' ' PHE . 15.7 mt -130.85 129.24 63.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -157.59 -179.37 8.1 Favored 'General case' 0 N--CA 1.457 -0.086 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -172.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.7 p -139.85 170.5 15.75 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.814 0.845 . . . . 0.0 110.246 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -63.44 -18.69 64.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.256 0.622 . . . . 0.0 112.024 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.92 -30.03 70.55 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.6 42.59 4.78 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.558 -0.579 . . . . 0.0 113.719 171.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -147.45 27.45 1.01 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.283 1.042 . . . . 0.0 111.648 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 53.87 -171.17 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.2 1.0 . . . . 0.0 111.583 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -121.79 -10.77 8.67 Favored 'General case' 0 C--O 1.231 0.084 0 O-C-N 122.124 -0.36 . . . . 0.0 111.509 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.94 -24.72 3.11 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-O 119.743 -0.476 . . . . 0.0 112.841 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.55 -172.06 3.82 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.129 0.964 . . . . 0.0 112.877 -176.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.6 -175.79 5.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.978 1.311 . . . . 0.0 110.922 -171.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 46' ' ' ILE . 74.5 m-85 -139.54 167.7 21.49 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.058 0.543 . . . . 0.0 110.426 175.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 52.2 t -146.79 124.74 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.543 0.737 . . . . 0.0 109.332 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -84.97 150.01 25.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.51 -173.97 3.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.927 0.394 . . . . 0.0 111.189 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.38 -34.06 5.18 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.19 -0.784 . . . . 0.0 113.638 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.1 m -151.42 170.93 18.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 118.314 1.057 . . . . 0.0 111.918 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.5 tt0 -59.62 -29.63 68.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.193 0.597 . . . . 0.0 110.875 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.16 -26.34 64.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.911 -0.493 . . . . 0.0 110.648 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -80.21 -36.67 34.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.371 -0.206 . . . . 0.0 110.667 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -38.85 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.13 -45.99 92.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.173 0.442 . . . . 0.0 110.35 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.9 mtm -67.83 -27.18 66.49 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.52 65.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.432 0.56 . . . . 0.0 110.859 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.4 mt -80.31 -12.97 59.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.204 0.602 . . . . 0.0 111.6 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.41 -5.5 28.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.87 25.36 4.31 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 118.521 0.601 . . . . 0.0 110.409 178.5 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -46.92 -10.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -152.67 29.31 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.286 1.403 . . . . 0.0 111.923 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.3 -166.44 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.002 -0.437 . . . . 0.0 111.026 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 79' ' ' GLY . 50.2 m -138.69 5.76 2.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.7 mtt 52.04 3.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.011 0.823 . . . . 0.0 112.625 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 109.25 -16.18 32.52 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.025 -0.875 . . . . 0.0 113.201 177.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -149.26 5.69 0.65 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.843 1.322 . . . . 0.0 114.367 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.606 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 7.4 tpt180 -143.6 -129.22 0.09 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.373 0.988 . . . . 0.0 111.542 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.606 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -165.29 121.38 1.39 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -123.84 169.77 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' CD ' ' H21' ' B' ' 3' ' ' ' G' . 11.4 mt-10 -147.9 145.47 28.65 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 177.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -143.85 125.5 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -133.13 153.63 51.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.65 155.03 40.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -142.03 -178.25 5.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.075 0.464 . . . . 0.0 110.908 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.416 ' HB3' ' H ' ' A' ' 9' ' ' GLU . 12.0 p80 -145.05 9.34 1.27 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.556 0.743 . . . . 0.0 111.285 -176.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 76.71 -24.48 0.22 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.378 1.471 . . . . 0.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -70.59 -40.24 73.37 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.482 0.583 . . . . 0.0 109.706 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -36.62 80.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.2 ttp -58.18 -48.28 80.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.17 -30.59 69.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.638 0.375 . . . . 0.0 111.332 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -67.47 -20.46 65.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.468 0.707 . . . . 0.0 112.773 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.11 -20.09 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.317 0.508 . . . . 0.0 111.539 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.23 -7.22 28.62 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.731 0.696 . . . . 0.0 111.16 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -127.94 7.09 6.08 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.962 0.905 . . . . 0.0 111.959 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -142.53 19.86 2.03 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.568 0.747 . . . . 0.0 110.336 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.9 p -61.35 -12.96 16.02 Favored 'General case' 0 N--CA 1.458 -0.029 0 C-N-CA 124.018 0.927 . . . . 0.0 113.051 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.48 -178.79 45.58 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo . . . . . 0 C--O 1.253 1.228 0 C-N-CA 124.94 3.76 . . . . 0.0 112.972 178.359 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.542 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C5'-C4'-C3' 109.766 -3.823 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.418 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.41 -3.564 3 O4'-C1'-N19 113.642 5.442 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.414 ' H21' ' CD ' ' A' ' 84' ' ' GLU . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 O4'-C1'-N19 111.24 3.04 . 0.169 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 2 O4'-C1'-N19 112.975 4.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.716 " H2'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 111.28 3.08 . 0.149 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.716 " H3'" " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.621 2.849 0 C5'-C4'-O4' 113.911 3.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 43.9 ttm -151.41 20.26 0.74 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.935 0.494 . . . . 0.0 110.551 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.1 tp -138.71 40.04 2.19 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.745 0.818 . . . . 0.0 109.026 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 6' ' ' GLU . . . -169.21 -155.84 10.19 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -176.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.48 14.76 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.708 1 C-N-CA 126.133 4.555 . . . . 0.0 115.955 175.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 4' ' ' GLY . 53.5 mt-10 -134.3 0.1 3.05 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.022 0.828 . . . . 0.0 112.136 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.12 -171.88 43.66 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 118.432 0.56 . . . . 0.0 112.334 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.81 169.2 38.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -145.56 19.87 1.51 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.094 0.557 . . . . 0.0 111.3 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.65 168.79 19.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.9 m-30 -88.1 44.63 1.21 Allowed 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.473 0.709 . . . . 0.0 109.131 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.18 149.79 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.33 158.41 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 121.377 0.608 . . . . 0.0 111.133 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -90.35 156.47 18.23 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -141.67 144.24 34.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.503 ' HD3' " H1'" ' B' ' 6' ' ' ' U' . 35.5 mtp-105 -149.47 162.4 40.2 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.27 -165.66 12.28 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.486 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 83' ' ' ILE . 58.5 mt 62.08 173.17 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.324 0 C-N-CA 124.053 0.941 . . . . 0.0 111.44 -178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 97.3 Cg_exo -46.62 173.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 124.418 3.412 . . . . 0.0 113.764 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.585 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 16.8 m95 -58.99 -1.9 0.2 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -148.27 166.12 28.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.387 1.075 . . . . 0.0 109.87 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -156.92 176.76 12.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.65 0.38 . . . . 0.0 110.543 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -141.94 158.75 43.41 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.422 0.689 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' HA ' HG22 ' A' ' 27' ' ' VAL . 1.8 m -68.22 -19.36 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.326 0.651 . . . . 0.0 112.654 -173.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.83 -26.04 37.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.377 0.535 . . . . 0.0 111.448 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -80.92 -39.12 26.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 24' ' ' VAL . 27.7 m -67.19 -32.97 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.49 -25.83 38.56 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.696 0.68 . . . . 0.0 111.242 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -25.56 64.83 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.698 0.226 . . . . 0.0 110.84 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.472 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 36.3 t80 -88.55 -31.76 18.49 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.88 0.472 . . . . 0.0 111.885 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -90.98 61.97 4.78 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -54.57 152.14 7.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.373 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.49 -5.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.076 1.75 . . . . 0.0 114.383 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -85.44 -175.71 5.79 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.096 0.862 . . . . 0.0 110.431 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 m -137.45 150.63 47.74 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.452 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.2 mp -112.88 42.07 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-O 121.326 0.584 . . . . 0.0 109.627 -173.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.9 t60 63.12 -42.91 0.2 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.222 1.809 . . . . 0.0 114.121 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -148.89 -2.07 0.48 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.899 1.28 . . . . 0.0 110.767 171.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 99.89 -128.49 9.59 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.219 -1.553 . . . . 0.0 109.219 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.2 5.81 0.14 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.684 0.794 . . . . 0.0 112.164 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -117.53 16.47 14.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.291 1.036 . . . . 0.0 111.144 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.4 2.1 2.5 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.0 p -74.51 163.3 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 117.582 0.691 . . . . 0.0 109.552 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -150.67 152.57 34.16 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.769 0.427 . . . . 0.0 110.307 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.96 161.09 43.4 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.378 1.071 . . . . 0.0 108.673 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.56 121.44 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.42 -177.18 6.05 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.568 0.747 . . . . 0.0 110.804 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.5 p -139.54 173.52 11.45 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.22 0.608 . . . . 0.0 110.878 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -59.69 -21.19 60.25 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.348 0.659 . . . . 0.0 111.762 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.44 -20.71 32.24 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.44 19.73 24.59 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.116 -0.825 . . . . 0.0 114.773 172.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -146.07 165.22 29.72 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.75 1.275 . . . . 0.0 109.447 -177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -63.73 157.3 24.59 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.7 p -143.67 6.38 1.43 Allowed 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.211 0.604 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.56 22.02 0.13 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 50.57 -137.19 1.15 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.425 0.69 . . . . 0.0 110.9 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.41 -176.69 5.69 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -171.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -145.86 169.41 18.62 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.456 1.102 . . . . 0.0 109.207 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -145.26 108.69 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -70.99 152.42 43.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -130.91 -170.89 2.44 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -112.02 -26.1 4.51 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.915 -0.936 . . . . 0.0 113.808 -174.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.8 m -150.12 167.86 25.62 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 118.564 1.182 . . . . 0.0 111.632 -177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.7 tt0 -59.98 -30.29 69.02 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.019 0.527 . . . . 0.0 110.555 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.55 -25.68 64.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.723 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -38.57 47.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.235 -0.291 . . . . 0.0 110.33 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -68.73 -38.73 79.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -59.59 -48.48 81.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.868 0.304 . . . . 0.0 110.192 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.3 mtm -66.67 -29.54 69.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.06 -28.48 63.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.389 0.541 . . . . 0.0 111.442 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.4 mt -80.09 -15.2 57.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.757 0.423 . . . . 0.0 111.716 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -67.04 -5.88 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.472 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.51 24.59 4.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 118.533 0.606 . . . . 0.0 110.54 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.44 -19.87 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -149.96 6.43 0.6 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.306 1.412 . . . . 0.0 112.096 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -80.98 -167.35 1.38 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.229 0.468 . . . . 0.0 111.062 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.2 m -128.55 156.66 42.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.759 -169.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.5 mtt -67.15 -19.91 65.67 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.837 0.455 . . . . 0.0 110.642 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.23 -8.32 5.37 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -148.05 -11.2 0.38 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -152.59 146.75 25.45 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.937 0.789 . . . . 0.0 111.845 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.77 132.03 43.08 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.841 2.056 . . . . 0.0 111.098 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.593 ' CD1' HD21 ' A' ' 18' ' ' LEU . 3.7 mm -124.28 170.14 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.504 ' H ' HG22 ' A' ' 83' ' ' ILE . 11.5 mt-10 -145.16 148.07 33.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.197 0.199 . . . . 0.0 110.596 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.76 153.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 C-N-CA 123.63 0.772 . . . . 0.0 108.976 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.515 ' CB ' " H2'" ' B' ' 6' ' ' ' U' . 26.5 t80 -158.83 152.65 23.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -71.72 149.84 45.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 t -139.46 -178.63 5.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.241 0.543 . . . . 0.0 111.316 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -145.63 8.83 1.16 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.855 0.862 . . . . 0.0 111.198 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 77.58 -25.28 0.2 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.403 1.481 . . . . 0.0 113.567 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.3 m -69.17 -39.48 78.72 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 118.703 0.683 . . . . 0.0 110.04 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -68.14 -40.82 82.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -59.56 -46.62 88.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -65.04 -31.59 72.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.533 0.333 . . . . 0.0 111.751 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -70.04 -49.89 46.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.405 ' H ' HG12 ' A' ' 96' ' ' VAL . 5.8 p -80.64 -18.23 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 117.92 0.327 . . . . 0.0 111.256 -176.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.61 -3.38 27.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.564 -0.71 . . . . 0.0 110.833 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -137.6 3.81 2.56 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.611 0.765 . . . . 0.0 112.145 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -157.98 164.26 36.98 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.081 0.552 . . . . 0.0 109.566 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.8 p -154.97 162.89 40.96 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.986 0.422 . . . . 0.0 110.9 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.52 -178.71 47.05 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 124.873 3.715 . . . . 0.0 112.697 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.56 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C5'-C4'-C3' 109.837 -3.775 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.585 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.405 -3.96 3 C1'-O4'-C4' 105.449 -4.612 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.421 ' H21' ' CD ' ' A' ' 84' ' ' GLU . . . . . . . . 0 O4'--C4' 1.424 -2.41 1 O4'-C1'-N19 113.808 5.608 . 0.4 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.492 " H2'" " H5'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 111.889 3.689 . 0.17 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.492 " H5'" " H2'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 C4'-C3'-C2' 97.615 -5.085 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.515 " H2'" ' CB ' ' A' ' 86' ' ' PHE . . . . . . . . 0 O4'--C4' 1.423 -2.46 1 O4'-C1'-N19 113.163 4.963 . 0.397 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.7 tpt -147.79 7.4 0.84 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.128 0.571 . . . . 0.0 110.534 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.25 -14.93 62.72 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.168 0.587 . . . . 0.0 111.939 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.72 179.45 48.83 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.35 -178.18 3.49 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.689 3.593 . . . . 0.0 111.147 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -149.02 155.57 40.98 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.024 0.53 . . . . 0.0 109.813 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.58 -178.11 48.35 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.0 39.8 0.1 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -133.99 20.59 3.79 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 117.456 0.628 . . . . 0.0 111.779 -174.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.58 -4.12 25.09 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-O 119.704 -0.498 . . . . 0.0 112.893 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 55.49 47.08 21.79 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.35 1.06 . . . . 0.0 110.011 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.0 t -129.61 153.91 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.89 155.71 27.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.404 0.621 . . . . 0.0 111.061 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -88.56 161.24 17.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.907 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 142.86 38.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -144.25 160.33 41.16 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.97 -157.95 19.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 87.76 159.29 0.09 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.896 1.678 . . . . 0.0 111.924 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.88 40.44 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.705 1 C-N-CA 128.05 5.833 . . . . 0.0 117.081 173.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.529 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 3.9 m95 61.65 9.68 2.93 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.386 1.075 . . . . 0.0 113.004 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -159.47 159.05 33.08 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.318 0.647 . . . . 0.0 109.678 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 t -165.29 174.17 10.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.021 0.528 . . . . 0.0 110.371 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.6 m -143.29 159.79 41.69 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.048 0.939 . . . . 0.0 108.636 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG13 ' H ' ' A' ' 24' ' ' VAL . 1.7 m -64.92 -21.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.6 -25.81 35.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.067 0.394 . . . . 0.0 111.541 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -81.87 -33.53 30.53 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.153 0.433 . . . . 0.0 110.476 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -72.62 -38.79 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.407 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -75.49 -20.52 58.72 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.638 0.654 . . . . 0.0 111.012 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -29.91 67.61 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.243 -0.286 . . . . 0.0 110.522 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -85.72 -19.97 30.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.574 0.35 . . . . 0.0 111.364 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.46 61.89 1.05 Allowed 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.907 0.883 . . . . 0.0 108.89 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 m -53.02 146.3 11.38 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.926 0.491 . . . . 0.0 110.838 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 60.02 -6.03 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.026 1.73 . . . . 0.0 114.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -77.54 -176.97 4.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 119.067 0.849 . . . . 0.0 110.306 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -134.66 155.03 51.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.516 ' C ' ' H ' ' A' ' 38' ' ' ASP . 16.6 mm -114.38 29.37 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.116 0.567 . . . . 0.0 110.088 -170.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.9 t60 59.44 -18.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.148 1.379 . . . . 0.0 113.651 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' ILE . 26.7 m-20 -153.43 -28.39 0.14 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.863 1.265 . . . . 0.0 110.997 177.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.55 -6.78 33.81 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 122.989 0.328 . . . . 0.0 113.356 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -177.65 4.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 125.236 1.414 . . . . 0.0 110.806 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -127.51 17.61 6.96 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -175.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.53 2.18 11.22 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.37 156.8 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.772 0.829 . . . . 0.0 110.199 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -153.57 162.61 41.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.944 0.898 . . . . 0.0 108.901 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -147.98 165.62 30.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.581 0.752 . . . . 0.0 109.2 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 58' ' ' PHE . 21.6 mt -133.84 130.13 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -154.23 179.42 8.99 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.877 0.871 . . . . 0.0 109.88 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.4 p -140.35 173.47 11.48 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.178 0.514 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -17.92 58.72 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.749 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.33 -42.74 74.21 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.073 0.549 . . . . 0.0 111.973 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.5 2.65 3.97 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 118.474 -1.181 . . . . 0.0 115.819 172.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -146.32 168.24 21.59 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 119.895 1.847 . . . . 0.0 109.689 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -63.65 146.69 53.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 m -71.04 -19.15 62.53 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.161 0.184 . . . . 0.0 111.137 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.47 1.19 9.26 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -142.37 167.14 22.81 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.63 0.729 . . . . 0.0 112.007 -174.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.72 -179.22 5.74 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.814 1.245 . . . . 0.0 109.599 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 46' ' ' ILE . 93.3 m-85 -141.6 162.99 34.13 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.028 0.442 . . . . 0.0 110.665 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -145.96 115.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.569 0.748 . . . . 0.0 109.185 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.16 149.06 35.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 mt -126.03 -172.82 2.7 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.726 0.298 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.19 -23.02 8.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.905 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 t -158.87 173.54 16.36 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 118.69 1.245 . . . . 0.0 111.903 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 35.6 tt0 -59.39 -29.99 68.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.888 0.875 . . . . 0.0 110.522 175.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.15 -30.3 68.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.99 -0.444 . . . . 0.0 110.613 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -75.83 -37.77 58.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.323 -0.236 . . . . 0.0 110.58 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.3 p -70.39 -38.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.52 -47.94 83.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.214 0.461 . . . . 0.0 110.05 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.2 mtm -63.69 -27.91 69.54 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -75.46 -29.04 59.51 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.145 -0.347 . . . . 0.0 111.569 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.9 mt -79.86 -12.54 59.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.667 0.387 . . . . 0.0 111.797 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.73 -10.7 59.35 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -132.44 32.54 3.91 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 118.614 0.643 . . . . 0.0 110.688 -179.467 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -52.15 -7.4 0.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 -173.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -158.96 28.48 0.21 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 120.081 1.31 . . . . 0.0 112.414 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.03 -156.42 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.394 0.616 . . . . 0.0 111.315 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.423 ' HA ' HG12 ' A' ' 83' ' ' ILE . 34.3 t -139.73 141.34 36.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.779 0.832 . . . . 0.0 110.225 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 52.3 mtt -71.01 -12.94 61.81 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.38 -7.43 5.95 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -151.86 -7.64 0.22 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -153.95 155.57 35.86 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.434 1.015 . . . . 0.0 112.276 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.11 131.19 44.97 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.595 1.958 . . . . 0.0 109.672 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 77' ' ' SER . 4.2 mm -122.11 167.23 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -150.08 150.68 32.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -147.41 119.71 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -127.92 158.88 36.6 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -77.1 151.39 35.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.951 -0.468 . . . . 0.0 110.796 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 t -142.88 179.37 7.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 111.678 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -147.68 -10.67 0.4 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 103.41 -27.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.675 2.39 . . . . 0.0 111.858 173.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -66.97 -41.19 87.28 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.281 0.491 . . . . 0.0 110.322 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.72 -35.83 70.31 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 61.1 ttp -63.43 -38.71 92.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.44 0.296 . . . . 0.0 110.359 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.67 -27.28 62.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.132 -0.355 . . . . 0.0 111.473 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -78.38 -63.32 1.43 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.92 -18.45 21.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 122.165 -0.334 . . . . 0.0 111.805 -173.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.77 -8.44 21.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.439 0.563 . . . . 0.0 110.832 173.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -137.19 8.86 2.96 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.963 0.905 . . . . 0.0 111.93 -177.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -142.77 24.12 1.88 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.402 0.681 . . . . 0.0 110.662 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.4 p -62.64 -10.27 11.83 Favored 'General case' 0 C--O 1.23 0.072 0 C-N-CA 123.517 0.727 . . . . 0.0 112.887 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.88 179.07 47.22 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo . . . . . 0 C--O 1.25 1.094 0 C-N-CA 124.249 3.299 . . . . 0.0 111.205 179.555 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.529 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.418 -2.935 3 C3'-C2'-C1' 97.179 -4.801 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.477 " H1'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.497 2 O4'-C1'-N19 115.358 7.158 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 111.256 3.056 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.404 " O2'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.241 1 O4'-C1'-N19 114.994 6.794 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.444 " H2'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.644 2 O4'-C1'-N19 113.445 5.245 . 0.036 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.444 " H3'" " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C5'-C4'-O4' 113.83 3.307 . 0.205 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.1 mtm . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 tpt -152.05 152.92 33.01 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -157.55 170.28 22.77 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.984 0.514 . . . . 0.0 110.844 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.44 172.46 38.92 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.97 -22.67 25.28 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 124.126 3.218 . . . . 0.0 113.09 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.03 3.28 2.82 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.617 0.767 . . . . 0.0 112.643 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.6 -12.68 27.8 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 123.24 0.447 . . . . 0.0 112.615 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.72 161.4 25.96 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 117.761 0.78 . . . . 0.0 111.606 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -149.29 12.76 0.84 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.68 0.792 . . . . 0.0 111.055 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.9 -0.63 48.71 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.774 -0.459 . . . . 0.0 113.262 -173.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 57.82 39.64 26.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.214 1.005 . . . . 0.0 110.011 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -125.41 149.99 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.73 156.24 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-O 121.095 0.474 . . . . 0.0 110.812 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -86.55 159.76 19.16 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -142.34 142.71 32.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' N ' HD13 ' A' ' 15' ' ' LEU . 66.0 mtt180 -148.76 152.4 36.5 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.17 170.58 20.25 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.436 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.449 HD21 HD11 ' A' ' 83' ' ' ILE . 14.3 mt 61.76 156.55 0.11 Allowed Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 125.27 1.428 . . . . 0.0 112.635 178.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.9 72.6 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 124.401 3.401 . . . . 0.0 111.776 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.599 ' CH2' " O4'" ' B' ' 1' ' ' ' A' . 2.5 m-90 48.35 35.06 5.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.424 1.09 . . . . 0.0 113.446 177.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -147.37 132.69 18.5 Favored 'General case' 0 CA--C 1.527 0.077 0 O-C-N 122.032 -0.417 . . . . 0.0 110.193 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.9 t -166.76 171.15 11.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.371 0.668 . . . . 0.0 109.717 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -145.34 170.44 16.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.198 0.599 . . . . 0.0 109.927 174.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.55 -17.78 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.429 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.21 -26.98 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 117.727 0.24 . . . . 0.0 111.08 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -77.75 -36.39 50.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.81 -39.88 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.959 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -70.66 -23.77 62.57 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.774 0.716 . . . . 0.0 110.821 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.22 64.09 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.42 0.288 . . . . 0.0 111.14 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -85.24 -31.25 23.25 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -95.85 52.23 1.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.1 p -62.32 9.02 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.709 1.604 . . . . 0.0 114.808 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -126.07 7.19 7.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.079 0.552 . . . . 0.0 110.537 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -128.16 -177.11 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.38 0.672 . . . . 0.0 111.283 -170.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.0 m -133.31 134.64 44.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.4 mp -89.16 41.49 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.001 0.92 . . . . 0.0 110.081 -174.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.8 t60 62.96 -39.66 0.17 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.993 1.717 . . . . 0.0 114.025 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -149.49 -8.71 0.32 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.817 1.247 . . . . 0.0 111.321 172.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 104.8 -127.58 9.12 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -176.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.88 4.0 0.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.664 0.786 . . . . 0.0 112.013 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -115.14 17.05 16.9 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.376 1.071 . . . . 0.0 111.095 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.03 3.18 2.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.88 157.46 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 117.565 0.682 . . . . 0.0 109.919 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -152.86 162.85 40.77 Favored 'General case' 0 N--CA 1.458 -0.062 0 C-N-CA 123.562 0.745 . . . . 0.0 109.554 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -145.66 171.44 14.72 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.725 0.81 . . . . 0.0 109.363 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.664 HD11 ' CE2' ' A' ' 58' ' ' PHE . 10.3 mt -136.23 70.93 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 CA-C-O 121.481 0.658 . . . . 0.0 110.968 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.34 -164.92 2.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.6 p -134.28 160.92 36.4 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.828 0.823 . . . . 0.0 112.593 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -71.13 8.04 1.08 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.366 1.466 . . . . 0.0 112.795 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -147.85 17.84 1.12 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.748 0.819 . . . . 0.0 109.06 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.61 -150.9 7.68 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -156.25 7.97 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.189 0.995 . . . . 0.0 110.681 -169.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.25 10.91 0.67 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -171.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.5 t -65.36 60.38 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.211 1.404 . . . . 0.0 112.523 175.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.68 9.42 3.69 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HG2' HD12 ' A' ' 46' ' ' ILE . 43.3 tt0 -148.4 144.35 27.42 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.281 1.432 . . . . 0.0 107.301 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.63 -175.18 4.32 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.14 0.495 . . . . 0.0 112.229 -170.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.664 ' CE2' HD11 ' A' ' 46' ' ' ILE . 97.5 m-85 -136.98 163.43 30.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.321 1.048 . . . . 0.0 108.883 173.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG13 HG23 ' A' ' 36' ' ' ILE . 47.9 t -145.05 108.41 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.53 149.54 42.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 mt -128.29 -177.08 4.01 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.052 0.453 . . . . 0.0 111.456 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.8 -35.45 6.43 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 119.186 -0.785 . . . . 0.0 113.688 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -152.19 172.64 16.06 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 118.303 1.052 . . . . 0.0 111.782 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 32.4 tt0 -59.01 -31.64 69.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.002 0.521 . . . . 0.0 110.778 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.88 -28.26 68.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.871 -0.518 . . . . 0.0 110.754 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -77.59 -39.69 44.74 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.348 -0.22 . . . . 0.0 110.633 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.1 p -68.64 -40.18 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -61.34 -44.88 96.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.2 mtm -70.66 -26.46 63.46 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.69 67.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.407 0.549 . . . . 0.0 110.653 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.3 mt -76.86 -18.58 58.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.085 0.554 . . . . 0.0 111.705 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.64 -7.88 17.49 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 26.88 3.84 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.426 0.631 . . . . 0.0 110.716 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -47.2 -6.63 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -155.81 27.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 120.229 1.377 . . . . 0.0 112.733 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -73.41 -157.55 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.597 0.713 . . . . 0.0 111.805 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -145.25 151.88 39.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.93 0.892 . . . . 0.0 110.057 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.8 mtt -72.54 -11.92 60.86 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.422 0.289 . . . . 0.0 110.373 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.6 -11.87 5.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -145.27 -8.47 0.59 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -158.01 146.47 18.99 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.159 0.891 . . . . 0.0 112.092 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.28 128.77 37.65 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 127.156 2.183 . . . . 0.0 111.466 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.449 HD11 HD21 ' A' ' 18' ' ' LEU . 23.8 mm -124.32 162.98 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' N ' HG22 ' A' ' 83' ' ' ILE . 23.8 mt-10 -147.13 158.62 44.0 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.05 0.453 . . . . 0.0 111.777 -179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.24 155.07 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -156.01 155.0 31.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -76.88 151.26 35.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 121.845 -0.535 . . . . 0.0 111.066 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -145.6 179.39 7.46 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.637 0.375 . . . . 0.0 110.837 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -147.68 12.66 1.02 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.117 0.567 . . . . 0.0 111.858 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 75.43 -26.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.232 1.413 . . . . 0.0 113.584 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.2 m -69.56 -39.38 77.44 Favored 'General case' 0 N--CA 1.458 -0.05 0 CA-C-N 118.775 0.716 . . . . 0.0 109.758 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.15 -36.24 79.36 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.467 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.4 ttp -57.75 -47.99 80.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.33 -29.66 68.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 111.268 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -71.28 -20.39 62.22 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -122.79 -13.06 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 118.163 0.438 . . . . 0.0 111.566 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.94 -2.3 14.73 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.608 0.64 . . . . 0.0 110.262 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -124.81 5.19 8.09 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.465 1.106 . . . . 0.0 111.069 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -146.11 28.24 1.13 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.587 1.155 . . . . 0.0 109.031 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 m -61.29 -6.52 2.21 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -174.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' H ' ' HD2' ' A' ' 102' ' ' PRO . . . -174.71 -52.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 CA-C-O 118.924 -0.931 . . . . 0.0 112.156 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 101' ' ' GLY . 72.2 Cg_endo . . . . . 0 C--O 1.25 1.099 0 C-N-CA 122.748 2.299 . . . . 0.0 111.037 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.599 " O4'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -3.035 3 O4'-C1'-N19 116.712 8.512 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.502 2 C1'-O4'-C4' 103.432 -6.854 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 2 O4'-C1'-N19 112.759 4.559 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 C5'-C4'-C3' 109.511 -3.992 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.414 ' N3 ' " C3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 112.092 -2.272 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.414 " C3'" ' N3 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.865 1 P-O3'-C3' 126.139 5.366 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 120.332 0.11 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.9 mtt -141.97 174.63 10.41 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.374 0.67 . . . . 0.0 110.376 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.73 -5.1 22.93 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.298 0.639 . . . . 0.0 111.817 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.86 178.23 48.38 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.02 172.46 14.63 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 124.062 3.175 . . . . 0.0 111.113 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -65.74 -12.21 51.97 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.084 0.554 . . . . 0.0 112.183 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.45 177.23 43.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.67 20.95 0.06 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.62 11.53 2.49 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.531 0.732 . . . . 0.0 112.312 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.15 163.21 30.49 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.8 -0.52 . . . . 0.0 111.8 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 -88.83 54.18 2.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.041 0.937 . . . . 0.0 109.869 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -133.74 151.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.6 160.16 27.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.231 0.539 . . . . 0.0 111.065 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -90.58 164.47 14.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.403 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -143.06 139.66 30.61 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.025 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' N ' HD13 ' A' ' 15' ' ' LEU . 97.1 mtt180 -144.82 150.81 37.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.476 ' HA2' ' N1 ' ' B' ' 3' ' ' ' G' . . . 130.98 -157.83 22.39 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.756 172.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 18' ' ' LEU . 2.1 mm? 61.33 150.63 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 125.909 1.684 . . . . 0.0 111.941 -175.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -41.79 -53.32 3.43 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.746 3.631 . . . . 0.0 113.921 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.517 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 1.5 m95 -159.29 -8.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.401 0.681 . . . . 0.0 111.414 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -156.07 169.03 25.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.316 0.507 . . . . 0.0 110.687 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 t -156.11 177.42 11.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.799 0.839 . . . . 0.0 109.001 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -137.42 160.29 39.51 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 122.992 0.517 . . . . 0.0 109.609 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.04 -19.17 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.44 -26.31 26.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.968 0.349 . . . . 0.0 111.456 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -81.67 -35.77 29.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -69.36 -40.17 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.055 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -71.1 -23.75 62.16 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.835 0.743 . . . . 0.0 111.113 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -25.22 63.3 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.251 0.22 . . . . 0.0 111.132 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -89.29 -34.43 16.59 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.28 61.34 6.77 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.434 0.561 . . . . 0.0 109.994 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 m -54.51 152.08 7.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.023 0.529 . . . . 0.0 111.186 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 62.75 -14.48 0.06 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.552 1.941 . . . . 0.0 114.038 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.3 m -80.21 178.73 8.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 110.68 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.1 m -136.2 152.11 50.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 36' ' ' ILE . 35.7 mt -121.51 41.37 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-O 121.742 0.782 . . . . 0.0 110.282 -164.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.8 t60 63.78 -29.0 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.06 1.744 . . . . 0.0 114.201 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.3 m-20 -158.25 -26.97 0.08 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.124 1.37 . . . . 0.0 110.998 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.4 131.48 0.3 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -172.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.34 9.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.786 0.834 . . . . 0.0 112.9 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.58 18.05 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.186 0.995 . . . . 0.0 111.238 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.94 6.19 4.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.82 158.18 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.146 0.578 . . . . 0.0 109.896 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -153.04 157.67 40.83 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.102 0.561 . . . . 0.0 110.304 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -145.76 172.91 12.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.299 1.04 . . . . 0.0 108.622 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.543 HD11 ' CE2' ' A' ' 58' ' ' PHE . 34.3 mt -134.48 73.79 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.069 0 CA-C-O 121.578 0.704 . . . . 0.0 110.256 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 53' ' ' GLN . 5.0 p90 -156.81 -175.85 5.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.971 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.7 p -142.3 -168.84 2.82 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.051 0.453 . . . . 0.0 111.834 -172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -53.59 -18.22 2.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.049 0.939 . . . . 0.0 111.981 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -57.1 -35.55 69.57 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.707 0.403 . . . . 0.0 111.181 173.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.49 -2.59 27.85 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.606 -1.108 . . . . 0.0 115.431 170.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -172.87 -21.73 0.01 OUTLIER 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.434 1.617 . . . . 0.0 111.31 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 47' ' ' TYR . 4.6 tp60 46.69 -139.59 0.54 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.287 1.035 . . . . 0.0 111.835 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 76.6 p -144.76 24.14 1.53 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.359 1.063 . . . . 0.0 110.396 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.28 -162.52 13.08 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 123.597 0.618 . . . . 0.0 111.708 -176.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -129.69 -135.33 0.22 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.097 0.959 . . . . 0.0 109.715 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.01 179.67 8.27 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.091 0.859 . . . . 0.0 113.26 -174.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.2 m-85 -142.65 170.45 15.67 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.487 1.115 . . . . 0.0 109.617 175.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -147.26 118.52 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 123.659 0.784 . . . . 0.0 108.907 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -76.91 154.29 33.83 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.28 -173.7 3.23 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.11 -21.32 7.44 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.12 -0.822 . . . . 0.0 114.064 -173.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -158.1 171.53 20.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.765 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 33.0 tt0 -59.16 -29.67 67.6 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.929 0.892 . . . . 0.0 110.511 175.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.73 -28.02 64.4 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.902 -0.499 . . . . 0.0 110.584 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.03 -36.66 48.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.201 -0.312 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.03 -38.33 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.87 -46.99 87.03 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.244 0.474 . . . . 0.0 110.289 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.3 mtm -66.76 -28.28 68.28 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.11 -29.51 64.16 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.262 0.483 . . . . 0.0 111.18 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.24 -15.2 57.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.166 0.586 . . . . 0.0 111.811 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.46 -7.92 29.3 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 27.71 3.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.251 0.548 . . . . 0.0 110.55 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -46.65 -11.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -155.82 29.02 0.37 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.881 1.219 . . . . 0.0 112.504 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.27 -158.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.596 0.713 . . . . 0.0 111.687 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -144.99 150.52 37.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.857 0.863 . . . . 0.0 110.089 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.67 -13.1 61.64 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.48 -7.52 5.92 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -151.3 -7.99 0.24 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -153.17 148.8 27.33 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.364 0.984 . . . . 0.0 112.443 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.4 124.82 23.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 127.008 2.123 . . . . 0.0 110.593 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -124.26 160.66 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -148.67 160.31 43.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 111.61 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.03 146.38 20.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -146.86 151.11 36.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -73.08 146.94 45.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.064 -0.398 . . . . 0.0 110.997 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -141.35 -177.55 5.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.041 0.448 . . . . 0.0 110.731 -176.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -146.0 9.63 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.506 0.722 . . . . 0.0 111.429 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 75.59 -25.96 0.2 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.62 1.568 . . . . 0.0 113.683 173.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.1 m -68.84 -39.08 80.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.788 0.722 . . . . 0.0 109.777 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.85 -39.09 83.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.48 -47.7 81.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.19 -30.41 69.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.6 0.36 . . . . 0.0 111.604 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.394 0.678 . . . . 0.0 112.765 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.1 p -120.84 -18.76 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.294 0.497 . . . . 0.0 111.661 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.04 -5.2 16.24 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.61 0.641 . . . . 0.0 110.75 172.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -133.37 12.38 4.17 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.206 1.002 . . . . 0.0 111.001 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -148.89 21.02 1.0 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.441 0.696 . . . . 0.0 110.421 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.1 p -62.99 -8.87 8.1 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 123.574 0.75 . . . . 0.0 112.821 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.48 177.65 47.28 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo . . . . . 0 C--O 1.25 1.111 0 C-N-CA 124.108 3.206 . . . . 0.0 111.154 179.395 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.517 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.419 -2.838 2 C5'-C4'-C3' 107.324 -5.451 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.905 3.705 . 0.105 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.476 ' N1 ' ' HA2' ' A' ' 17' ' ' GLY . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C1'-O4'-C4' 106.057 -3.937 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 1 O4'-C1'-N19 112.872 4.672 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C5'-C4'-C3' 111.69 -2.54 . 0.451 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 C5'-C4'-O4' 113.001 2.715 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 119.581 -0.247 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 56.3 ttm -148.27 150.13 33.11 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-O 120.841 0.353 . . . . 0.0 110.946 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.1 tp -157.51 145.45 18.95 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.78 0.832 . . . . 0.0 108.994 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.9 -177.61 40.95 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.57 4.95 4.07 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 124.243 3.295 . . . . 0.0 111.593 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -142.71 11.67 1.86 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.026 0.531 . . . . 0.0 110.884 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.78 167.42 39.1 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.25 -175.68 44.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -140.86 12.49 2.26 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.531 0.332 . . . . 0.0 111.197 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.96 158.67 31.75 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.4 m-85 -97.72 57.05 1.32 Allowed 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.488 1.115 . . . . 0.0 109.196 176.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.49 153.59 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.0 m -136.78 154.28 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.292 0.568 . . . . 0.0 111.348 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HE3' ' O ' ' A' ' 87' ' ' LYS . 63.8 mttt -85.46 159.71 19.88 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.829 175.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.41 132.42 24.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -145.63 172.51 13.16 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 122.6 0.36 . . . . 0.0 110.049 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.85 -128.63 9.35 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 22' ' ' CYS . 8.1 mt 70.05 165.72 0.13 Allowed Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 122.715 0.406 . . . . 0.0 109.906 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 83.7 Cg_endo -76.89 -21.12 12.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.643 2.229 . . . . 0.0 112.784 -170.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.475 ' CH2' " H1'" ' B' ' 1' ' ' ' A' . 0.0 OUTLIER 164.69 -30.49 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.315 1.846 . . . . 0.0 108.325 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -155.02 169.88 23.06 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.639 1.176 . . . . 0.0 109.477 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.438 ' HB2' HD13 ' A' ' 18' ' ' LEU . 7.6 t -160.95 -175.4 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.221 -0.299 . . . . 0.0 111.594 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -139.35 163.44 32.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.16 0.984 . . . . 0.0 110.047 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.426 HG13 ' H ' ' A' ' 24' ' ' VAL . 1.4 m -67.4 -20.64 26.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -171.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -84.83 -27.26 26.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.462 0.574 . . . . 0.0 111.523 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -79.74 -35.06 39.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.01 0.368 . . . . 0.0 110.037 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -67.37 -44.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.688 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -73.67 -18.16 61.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 119.11 0.868 . . . . 0.0 111.649 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -28.11 63.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.896 0.316 . . . . 0.0 110.492 173.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.17 -36.79 34.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -80.62 175.57 10.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -153.85 157.85 39.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.885 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 52.49 7.62 0.07 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.979 1.312 . . . . 0.0 113.264 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.7 p -79.17 179.57 7.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.24 1.016 . . . . 0.0 110.287 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -140.82 5.95 1.99 Allowed 'General case' 0 C--N 1.338 0.083 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 mm 43.82 24.32 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.514 1.926 . . . . 0.0 113.717 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.9 t60 63.26 -36.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.718 1.607 . . . . 0.0 113.967 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -152.45 -2.36 0.26 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.24 1.016 . . . . 0.0 111.552 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 102.35 -137.3 13.29 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -173.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 0.1 0.19 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.197 0.599 . . . . 0.0 112.304 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -105.16 16.85 25.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.324 1.05 . . . . 0.0 111.493 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.69 3.29 4.22 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 p -75.09 157.99 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.486 0.643 . . . . 0.0 109.383 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -150.72 162.2 41.17 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.55 0.74 . . . . 0.0 109.143 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -145.75 173.91 11.68 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.943 0.497 . . . . 0.0 110.58 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.512 HD11 ' CE2' ' A' ' 58' ' ' PHE . 16.3 mt -135.77 143.3 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -163.66 179.68 7.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.535 1.134 . . . . 0.0 108.849 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.47 -33.23 0.13 Allowed 'General case' 0 N--CA 1.461 0.104 0 O-C-N 122.327 -0.233 . . . . 0.0 111.459 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.33 -175.55 1.68 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -174.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.39 63.36 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.151 0.98 . . . . 0.0 110.754 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.9 -28.25 0.09 OUTLIER Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.452 -0.638 . . . . 0.0 111.799 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -157.61 158.08 34.86 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.2 1.0 . . . . 0.0 109.632 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -155.86 137.14 13.88 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.6 p 44.32 26.06 0.15 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.027 1.331 . . . . 0.0 114.491 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.83 -11.43 79.35 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -141.38 157.42 45.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.58 -178.67 5.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.9 0.857 . . . . 0.0 112.741 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.512 ' CE2' HD11 ' A' ' 46' ' ' ILE . 79.2 m-85 -139.31 161.41 37.5 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.15 171.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.6 t -142.37 110.61 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -74.9 153.97 38.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -132.08 -174.51 3.45 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.81 -24.92 7.85 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.97 -0.906 . . . . 0.0 114.168 -175.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.1 m -148.11 165.56 30.47 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.729 1.265 . . . . 0.0 112.235 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.7 tt0 -59.93 -30.38 69.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.137 0.575 . . . . 0.0 110.479 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.93 -29.31 68.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.204 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -73.65 -41.2 63.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.207 -0.308 . . . . 0.0 110.289 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -40.42 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.53 -43.96 97.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 63.6 mtm -67.07 -30.05 69.99 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.79 63.26 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.286 0.494 . . . . 0.0 111.337 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.8 -17.31 57.61 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.099 0.56 . . . . 0.0 111.825 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.87 -6.14 11.28 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 28.86 3.31 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 118.633 0.652 . . . . 0.0 110.661 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -44.57 -11.9 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -149.39 22.13 0.93 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.959 1.254 . . . . 0.0 112.757 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -69.58 -168.21 0.17 Allowed 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.659 -0.651 . . . . 0.0 112.158 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -139.0 174.38 10.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.51 0.724 . . . . 0.0 111.911 -171.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.9 mtt -110.79 -13.97 14.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.957 0.503 . . . . 0.0 111.574 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.47 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.704 -0.498 . . . . 0.0 113.411 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -149.64 4.61 0.59 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.844 0.822 . . . . 0.0 111.285 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.2 ttp-105 -155.22 162.93 40.8 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.461 ' CE1' ' C4 ' ' B' ' 3' ' ' ' G' 0.27 1.7 p90 -118.02 164.09 15.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.105 0.955 . . . . 0.0 113.397 -176.551 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 mm -132.25 165.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -169.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -143.2 148.29 36.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.607 0.242 . . . . 0.0 110.435 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.81 153.71 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -158.53 163.6 36.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 77.6 tttt -79.41 155.17 28.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.968 -0.458 . . . . 0.0 110.977 -175.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t -144.49 177.61 8.53 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.983 0.513 . . . . 0.0 110.907 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -153.05 15.06 0.54 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.328 0.651 . . . . 0.0 112.252 -172.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 74.7 -34.52 0.27 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.318 1.847 . . . . 0.0 114.005 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -64.6 -39.25 93.39 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 119.04 0.836 . . . . 0.0 110.424 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.533 ' O ' HG12 ' A' ' 96' ' ' VAL . 47.2 tt0 -68.62 -42.78 77.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.3 ttp -59.5 -42.68 92.73 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.535 0.522 . . . . 0.0 110.863 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.94 -30.05 71.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -83.26 -22.08 33.15 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 92' ' ' GLU . 7.2 p -110.68 -10.8 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 122.653 0.381 . . . . 0.0 112.009 -175.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -6.5 28.82 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.602 -0.686 . . . . 0.0 111.408 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -136.59 4.3 2.84 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -160.5 154.44 22.83 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 117.981 0.355 . . . . 0.0 110.38 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.8 p -161.79 169.46 21.34 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.682 0.393 . . . . 0.0 110.326 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.65 47.94 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 CA-C-O 119.05 -0.861 . . . . 0.0 112.834 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--O 1.251 1.144 0 C-N-CA 123.411 2.741 . . . . 0.0 111.116 -178.647 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.475 " H1'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -3.016 1 C5'-C4'-C3' 107.837 -5.109 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.463 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.412 -3.414 1 O4'-C1'-N19 112.648 4.448 . 0.047 0i . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.461 ' C4 ' ' CE1' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.419 -2.844 2 O4'-C1'-N19 112.895 4.695 . 0.277 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 O4'-C1'-N19 111.611 3.411 . 0.081 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.569 " H1'" ' C6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.845 1 C5'-C4'-C3' 107.627 -5.249 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.569 ' C6 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.121 2 C5'-C4'-C3' 107.331 -5.446 . 0.014 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 60.5 mtt 56.51 179.57 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.501 1.121 . . . . 0.0 112.207 -177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.2 tp -151.82 -14.06 0.19 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.226 -0.296 . . . . 0.0 111.763 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.53 54.23 0.14 Allowed Glycine 0 CA--C 1.527 0.84 0 CA-C-O 119.326 -0.708 . . . . 0.0 112.097 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -70.42 14.28 0.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 124.12 3.213 . . . . 0.0 112.787 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -140.69 10.48 2.24 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.997 0.519 . . . . 0.0 110.859 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.28 13.88 0.06 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 122.029 -0.42 . . . . 0.0 112.217 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.55 -163.82 24.23 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 53.73 18.8 1.63 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.185 0.994 . . . . 0.0 112.995 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.6 174.08 46.01 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER 63.38 29.17 15.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.81 1.244 . . . . 0.0 108.874 -175.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 t -138.78 144.05 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.62 160.42 27.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.31 0.576 . . . . 0.0 111.464 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -94.95 160.58 14.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.294 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -135.29 141.16 45.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.093 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' H ' HD13 ' A' ' 15' ' ' LEU . 45.9 ttt180 -153.9 162.98 40.79 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.757 0.823 . . . . 0.0 109.061 -174.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.57 -164.21 14.69 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 70.1 mt 70.18 172.87 0.1 OUTLIER Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.186 1.394 . . . . 0.0 110.361 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 50.5 Cg_exo -56.83 28.43 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.676 1 C-N-CA 125.701 4.268 . . . . 0.0 115.159 173.347 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.433 ' H ' ' C ' ' A' ' 18' ' ' LEU . 12.8 m0 51.35 32.61 8.66 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.056 0.942 . . . . 0.0 111.141 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.0 t -151.61 138.23 18.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.565 1.146 . . . . 0.0 107.95 173.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 t -162.54 174.67 12.34 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.439 0.295 . . . . 0.0 110.436 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -142.64 162.95 34.14 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.026 0.93 . . . . 0.0 109.456 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.96 -19.84 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.91 -24.28 35.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.882 0.31 . . . . 0.0 111.683 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -84.46 -35.91 22.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.988 0.358 . . . . 0.0 110.265 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.7 -36.35 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.755 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.07 -26.95 59.73 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.432 0.56 . . . . 0.0 110.951 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -25.08 64.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.467 0.307 . . . . 0.0 111.011 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -95.1 -21.43 18.54 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -102.51 62.11 0.84 Allowed 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 p -53.11 153.14 3.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 111.07 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 57.86 -1.59 0.08 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.672 1.589 . . . . 0.0 114.787 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.52 178.93 4.96 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.369 0.986 . . . . 0.0 110.068 175.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -123.39 -18.91 6.08 Favored 'General case' 0 N--CA 1.46 0.075 0 C-N-CA 122.678 0.391 . . . . 0.0 111.986 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.7 mt 54.7 23.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.408 1.083 . . . . 0.0 112.128 172.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.4 t60 67.36 -42.93 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.704 1.602 . . . . 0.0 113.304 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -152.56 1.72 0.32 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.3 1.04 . . . . 0.0 111.388 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 84.61 -120.14 5.19 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.82 5.4 0.13 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.116 0.966 . . . . 0.0 112.676 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -126.68 19.07 7.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.934 0.894 . . . . 0.0 111.222 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.45 0.92 4.35 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 p -74.1 160.94 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 117.28 0.54 . . . . 0.0 109.983 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.51 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 75.0 m-70 -151.27 160.4 43.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.916 0.887 . . . . 0.0 108.978 172.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -145.33 173.54 11.89 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.459 0.704 . . . . 0.0 109.454 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 58' ' ' PHE . 61.0 mt -132.03 115.51 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.088 0 CA-C-O 120.704 0.288 . . . . 0.0 111.003 -172.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -165.43 156.08 13.67 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.233 0.613 . . . . 0.0 110.58 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.4 p -149.78 178.43 8.89 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.964 0.906 . . . . 0.0 110.064 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -66.6 5.03 0.66 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.242 1.417 . . . . 0.0 114.376 -177.031 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -145.24 1.1 0.94 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 118.978 0.808 . . . . 0.0 112.545 -175.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.45 147.2 5.13 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -141.78 0.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.599 2.36 . . . . 0.0 110.749 4.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 55.25 19.24 2.84 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.699 1.2 . . . . 0.0 112.413 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.6 p -71.02 178.87 2.99 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.097 0.559 . . . . 0.0 111.695 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.71 2.75 82.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.08 140.25 56.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . -163.13 -177.13 5.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.38 0.609 . . . . 0.0 112.389 -168.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' A' ' 46' ' ' ILE . 88.5 m-85 -139.26 164.95 28.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.005 0.922 . . . . 0.0 108.812 171.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 t -144.96 112.52 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -77.85 150.0 34.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 mt -126.57 -167.03 1.66 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.579 0.352 . . . . 0.0 110.359 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -117.93 -22.23 3.97 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.986 -0.896 . . . . 0.0 113.966 -174.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -149.97 168.47 23.73 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 118.805 1.302 . . . . 0.0 111.603 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.39 -32.96 71.81 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.946 0.498 . . . . 0.0 110.286 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.37 -28.4 69.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.428 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -76.41 -41.49 47.55 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.196 -0.315 . . . . 0.0 110.378 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.92 -39.42 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -61.52 -43.41 98.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 117.991 0.36 . . . . 0.0 110.252 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.5 mtm -66.03 -31.37 72.22 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.9 60.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.239 0.472 . . . . 0.0 111.337 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.94 -13.89 55.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.049 0.539 . . . . 0.0 112.025 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.42 -8.39 32.7 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.7 25.21 4.03 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 123.498 0.719 . . . . 0.0 110.217 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.2 -12.94 0.06 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -159.57 34.16 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.428 1.013 . . . . 0.0 112.38 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -111.82 -173.61 2.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.517 0.327 . . . . 0.0 110.869 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -119.01 151.26 38.53 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -163.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.8 mtt -71.36 -26.85 62.98 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.781 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.1 -9.22 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.125 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -147.0 -17.69 0.4 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.833 1.316 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -151.64 163.44 39.09 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 83' ' ' ILE 0.304 0.8 OUTLIER -103.44 154.84 19.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -170.865 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.6 HD12 ' C ' ' A' ' 82' ' ' TYR . 1.6 mp -121.53 163.33 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -173.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' HG22 ' A' ' 83' ' ' ILE . 13.6 mt-10 -137.61 145.55 42.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.11 153.55 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.414 ' HB2' " H2'" ' B' ' 6' ' ' ' U' . 41.7 t80 -157.97 159.01 36.01 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -75.53 151.55 37.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -177.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.4 t -138.31 176.41 8.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.846 0.355 . . . . 0.0 111.072 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -143.01 13.85 1.87 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.582 0.753 . . . . 0.0 111.859 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 74.34 -33.15 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.624 1.57 . . . . 0.0 112.853 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.3 m -65.73 -39.36 91.08 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.537 0.608 . . . . 0.0 110.396 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.68 -40.43 72.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.442 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 63.4 ttp -57.02 -47.21 81.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.34 -30.84 71.32 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.542 0.211 . . . . 0.0 111.541 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -71.38 -24.86 62.15 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.559 0.744 . . . . 0.0 112.873 -176.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.73 -12.97 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 117.926 0.33 . . . . 0.0 111.117 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.3 -2.74 17.26 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.468 -0.77 . . . . 0.0 111.019 172.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -131.63 0.16 3.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.559 0.744 . . . . 0.0 112.183 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -159.05 141.7 14.18 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.9 t -159.23 -173.27 4.12 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -157.13 174.39 34.7 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 C--O 1.252 1.197 0 C-N-CA 124.394 3.396 . . . . 0.0 111.53 -178.531 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.451 ' C8 ' H5'' ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.698 1 C5'-C4'-C3' 109.241 -4.172 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.412 ' C5 ' ' CE3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.413 -3.305 2 C1'-O4'-C4' 102.138 -8.292 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.403 ' C4 ' ' CE1' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.415 -3.146 2 P-O3'-C3' 125.04 4.45 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 2 O4'-C1'-N19 114.242 6.042 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.542 " H1'" ' C5 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 O4'-C1'-N19 110.438 2.238 . 0.181 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.542 ' C5 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.472 1 O4'-C1'-N19 112.615 4.415 . 0.034 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mtp . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.6 mmt -144.12 169.39 17.94 Favored 'General case' 0 C--O 1.231 0.095 0 C-N-CA 123.743 0.817 . . . . 0.0 109.893 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.65 15.12 1.41 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.297 0.639 . . . . 0.0 110.033 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' N ' ' CD ' ' A' ' 5' ' ' PRO . . . -168.82 45.54 0.22 Allowed Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.338 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 4' ' ' GLY . 85.1 Cg_endo -73.68 0.15 8.58 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.32 2.68 . . . . 0.0 111.83 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -151.81 169.36 22.42 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.041 0.536 . . . . 0.0 110.403 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.09 -175.05 44.86 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.1 19.03 0.27 Allowed Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.72 33.78 0.53 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.148 0.979 . . . . 0.0 112.159 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.16 164.23 32.75 Favored Glycine 0 CA--C 1.525 0.668 0 CA-C-O 121.411 0.451 . . . . 0.0 112.548 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.5 m-85 -91.17 50.65 1.8 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.628 1.171 . . . . 0.0 109.585 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -129.44 151.88 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -137.19 157.86 35.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 121.225 0.536 . . . . 0.0 111.07 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -90.73 155.14 19.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 175.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -141.07 133.9 28.94 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.541 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' N ' HD13 ' A' ' 15' ' ' LEU . 74.5 mtt180 -143.44 153.78 43.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.05 -169.36 23.34 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.123 -0.561 . . . . 0.0 113.59 174.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.404 HD21 HD11 ' A' ' 83' ' ' ILE . 36.8 mt 60.75 151.3 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 125.025 1.33 . . . . 0.0 113.314 -176.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -63.81 89.93 0.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 124.817 3.678 . . . . 0.0 112.646 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.561 ' CH2' " H1'" ' B' ' 1' ' ' ' A' . 13.6 m95 56.59 0.37 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 115.946 174.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -152.04 160.09 43.54 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 119.422 1.01 . . . . 0.0 111.466 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.4 t -162.43 173.31 14.26 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.208 1.003 . . . . 0.0 109.054 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.8 p -148.43 166.69 27.36 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 122.92 0.488 . . . . 0.0 110.461 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG13 ' H ' ' A' ' 24' ' ' VAL . 2.0 m -67.29 -18.99 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 119.685 -0.198 . . . . 0.0 111.531 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.89 -28.69 27.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.949 0.34 . . . . 0.0 111.55 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -78.82 -35.91 43.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.121 0.418 . . . . 0.0 110.019 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.56 -38.62 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.193 -0.317 . . . . 0.0 110.806 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.91 -24.44 62.46 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.639 0.654 . . . . 0.0 110.296 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.741 0.416 . . . . 0.0 111.33 174.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -92.16 -32.76 14.99 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -91.95 53.57 2.22 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.2 p -64.68 9.13 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.869 1.668 . . . . 0.0 114.374 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -127.79 5.55 6.07 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 123.145 0.578 . . . . 0.0 110.407 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.7 m -124.93 -176.83 3.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.457 0.703 . . . . 0.0 111.188 -171.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.5 m -133.85 129.11 35.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.52 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.3 mp -85.15 42.26 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.669 1.187 . . . . 0.0 109.578 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.6 t60 60.19 -19.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 113.56 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.8 m-20 -155.38 -37.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.695 1.598 . . . . 0.0 109.115 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.6 -41.69 1.63 Allowed Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.202 0.906 . . . . 0.0 111.216 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.09 12.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.901 1.28 . . . . 0.0 110.405 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -128.42 18.13 6.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.3 0.64 . . . . 0.0 111.147 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.59 7.41 4.25 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.59 160.09 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.154 0.582 . . . . 0.0 109.878 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -151.12 155.46 38.97 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.223 0.609 . . . . 0.0 110.023 173.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.08 168.86 19.92 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.679 0.792 . . . . 0.0 109.341 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 58' ' ' PHE . 32.7 mt -138.66 134.65 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -174.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -161.53 177.32 10.15 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.909 0.484 . . . . 0.0 110.438 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.1 p -143.39 164.99 28.76 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-O 121.403 0.62 . . . . 0.0 110.499 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -76.22 6.72 5.05 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.3 1.04 . . . . 0.0 112.135 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -138.22 11.83 2.81 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.857 0.863 . . . . 0.0 110.533 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.8 -136.88 3.37 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' C ' ' H ' ' A' ' 54' ' ' SER . 53.1 ttt180 -151.14 174.63 12.99 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.98 0.912 . . . . 0.0 109.411 -173.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -64.91 7.92 0.15 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.956 0.902 . . . . 0.0 112.572 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 52' ' ' ARG . 22.1 t -71.56 2.41 5.16 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.43 0.692 . . . . 0.0 111.495 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.77 -5.62 52.32 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 80.55 -165.89 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.905 1.682 . . . . 0.0 111.607 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.78 177.6 9.65 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -170.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' A' ' 46' ' ' ILE . 94.2 m-85 -137.66 167.11 22.35 Favored 'General case' 0 C--N 1.338 0.071 0 C-N-CA 124.851 1.26 . . . . 0.0 108.796 172.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 HG23 ' A' ' 36' ' ' ILE . 48.7 t -145.82 112.08 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.17 151.14 40.08 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.22 -177.88 4.5 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.938 0.399 . . . . 0.0 111.192 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.33 -34.2 6.82 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.905 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.3 m -153.17 171.26 18.75 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.362 1.081 . . . . 0.0 111.885 -176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.9 tt0 -59.45 -28.27 66.82 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.26 0.624 . . . . 0.0 110.994 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.51 -28.24 64.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.57 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.64 -37.54 56.16 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.259 -0.276 . . . . 0.0 110.596 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.59 -39.93 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.75 -43.19 99.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.176 0.444 . . . . 0.0 110.381 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.1 mtm -70.19 -27.42 64.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.25 -29.88 65.65 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.447 0.567 . . . . 0.0 110.834 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.6 mt -78.43 -18.26 55.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.243 0.617 . . . . 0.0 111.695 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.98 -8.45 22.88 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 26.19 3.9 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.39 0.614 . . . . 0.0 110.715 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 46.8 p30 -44.6 -12.5 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -145.81 16.37 1.42 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 120.534 1.515 . . . . 0.0 111.792 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -71.61 -161.27 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.608 0.718 . . . . 0.0 111.754 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -143.47 157.54 44.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.584 0.754 . . . . 0.0 110.315 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.1 mtt -76.46 -7.52 55.25 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.148 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.59 -17.91 6.08 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -144.03 -4.58 0.82 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -154.75 140.11 17.7 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.6 0.636 . . . . 0.0 111.315 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.419 ' CE1' ' HG2' ' A' ' 84' ' ' GLU . 1.6 t80 -67.22 145.18 55.48 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.793 1.637 . . . . 0.0 111.408 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.404 HD11 HD21 ' A' ' 18' ' ' LEU . 30.4 mm -132.48 157.39 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 125.343 1.457 . . . . 0.0 107.848 -177.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.717 ' CG ' ' H21' ' B' ' 3' ' ' ' G' . 4.9 mm-40 -135.1 138.16 43.53 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -176.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.9 149.58 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -154.81 155.32 34.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -75.87 155.17 35.53 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.16 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.7 t -143.3 -173.11 3.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.698 0.399 . . . . 0.0 110.209 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -140.19 -44.2 0.42 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.162 -173.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 131.19 -21.86 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.296 2.638 . . . . 0.0 112.398 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 m -67.0 -41.26 87.02 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 118.121 0.418 . . . . 0.0 110.455 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.28 -37.37 71.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 60.1 ttp -62.82 -35.7 80.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.452 0.301 . . . . 0.0 110.465 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.86 -27.77 60.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.735 0.302 . . . . 0.0 111.535 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -77.59 -64.41 1.16 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -175.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.15 -17.52 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 122.29 -0.256 . . . . 0.0 111.601 -173.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.79 -9.9 53.67 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.152 0.433 . . . . 0.0 111.246 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -138.94 10.04 2.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.549 0.74 . . . . 0.0 112.274 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -141.79 22.76 2.12 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.928 0.491 . . . . 0.0 111.063 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.4 m -52.54 140.6 22.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.83 0.452 . . . . 0.0 111.048 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 169.29 -179.15 42.07 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 124.194 3.263 . . . . 0.0 110.977 178.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.561 " H1'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -3.006 2 C5'-C4'-C3' 108.552 -4.632 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.471 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 C5'-C4'-O4' 113.377 2.984 . 0.051 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.717 ' H21' ' CG ' ' A' ' 84' ' ' GLU . . . . . . . . 0 O4'--C4' 1.42 -2.745 2 O4'-C1'-N19 113.924 5.724 . 0.248 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.922 1 O4'-C1'-N19 112.4 4.2 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.49 " H1'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C3'-C2'-C1' 103.812 2.568 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.49 " H3'" " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.705 1 P-O3'-C3' 125.928 5.19 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -154.79 172.77 17.43 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.011 0.524 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.59 168.4 7.56 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.112 0.482 . . . . 0.0 111.1 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.63 -51.53 0.05 OUTLIER Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.253 -0.748 . . . . 0.0 111.716 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.66 -17.96 24.63 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.67 2.913 . . . . 0.0 112.742 173.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -156.48 173.83 16.32 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.24 -175.78 36.88 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.49 179.79 40.77 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -154.41 -1.57 0.18 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.51 -170.98 43.63 Favored Glycine 0 C--N 1.338 0.653 0 CA-C-N 118.292 0.496 . . . . 0.0 113.133 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 73.47 22.07 2.78 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 126.783 2.033 . . . . 0.0 107.538 -176.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.53 148.43 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.83 154.57 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.241 0.543 . . . . 0.0 111.132 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -82.74 156.29 23.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.14 133.48 26.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -154.24 153.88 32.51 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 -172.15 24.13 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.5 -0.381 . . . . 0.0 112.428 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD21 HD11 ' A' ' 83' ' ' ILE . 22.1 mt 60.07 162.24 0.1 Allowed Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.113 1.365 . . . . 0.0 113.837 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.73 75.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 1 C-N-CA 126.475 4.784 . . . . 0.0 114.993 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.46 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 3.8 m95 52.61 6.0 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 t -157.82 155.75 30.27 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 120.525 1.511 . . . . 0.0 113.177 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -161.74 -179.89 7.59 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.916 1.686 . . . . 0.0 108.967 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.1 p -145.45 171.06 15.18 Favored 'General case' 0 C--N 1.339 0.126 0 O-C-N 122.049 -0.407 . . . . 0.0 111.131 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.83 -20.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.35 -28.05 34.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.983 0.356 . . . . 0.0 111.352 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -78.99 -36.59 41.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.06 0.391 . . . . 0.0 109.988 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.23 -37.23 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 O-C-N 122.395 -0.191 . . . . 0.0 110.857 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -72.36 -24.51 61.29 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.612 0.642 . . . . 0.0 110.345 176.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -23.1 61.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.645 0.378 . . . . 0.0 111.303 172.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -99.2 -25.89 14.37 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.18 53.73 0.74 Allowed 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.2 p -63.35 9.83 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.433 1.493 . . . . 0.0 114.313 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -125.42 4.66 7.67 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.149 0.579 . . . . 0.0 110.709 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.09 -178.92 3.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.456 0.702 . . . . 0.0 110.815 -175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -123.61 -13.3 7.54 Favored 'General case' 0 C--O 1.23 0.051 0 C-N-CA 122.793 0.437 . . . . 0.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.7 mt 52.75 29.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.096 0.959 . . . . 0.0 111.259 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.9 t60 63.03 -18.69 0.05 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.491 1.516 . . . . 0.0 113.573 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.14 -37.41 0.07 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.92 1.288 . . . . 0.0 109.875 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.26 -38.77 2.22 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 124.056 0.836 . . . . 0.0 111.428 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.42 11.48 1.01 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.065 1.346 . . . . 0.0 110.457 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -128.45 15.74 6.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.979 0.511 . . . . 0.0 111.355 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.84 4.87 7.45 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 175.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.04 160.5 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.293 0.637 . . . . 0.0 109.783 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -149.66 154.7 39.01 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 123.438 0.695 . . . . 0.0 109.361 173.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -150.52 159.66 44.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.35 0.66 . . . . 0.0 109.248 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mp -137.79 142.43 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -164.92 171.12 14.47 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.825 0.345 . . . . 0.0 111.332 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.3 p -145.67 157.93 43.9 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.643 0.777 . . . . 0.0 109.671 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.25 31.15 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.731 1.612 . . . . 0.0 113.695 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 38.15 42.98 0.53 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.077 1.351 . . . . 0.0 113.53 -173.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -148.75 -8.72 0.18 Allowed Glycine 0 CA--C 1.532 1.146 0 N-CA-C 115.827 1.091 . . . . 0.0 115.827 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -152.95 157.65 40.92 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.385 1.593 . . . . 0.0 108.968 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' HB2' ' H61' ' B' ' 1' ' ' ' A' . 60.2 mm-40 -87.76 -31.93 19.38 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.754 0.252 . . . . 0.0 111.232 -177.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.6 m 46.38 14.89 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.8 13.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.363 -0.687 . . . . 0.0 113.54 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 49.73 -135.01 1.35 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.128 0.964 . . . . 0.0 111.99 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.43 -178.79 7.05 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -145.41 171.13 15.06 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.706 0.802 . . . . 0.0 110.83 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -147.01 115.26 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.982 0.913 . . . . 0.0 109.01 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -79.51 147.28 32.27 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -123.0 -173.18 2.65 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.863 0.363 . . . . 0.0 110.743 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.22 -30.46 5.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.982 -0.899 . . . . 0.0 113.546 -175.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.9 m -150.86 172.28 15.89 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.601 1.201 . . . . 0.0 112.118 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.22 -30.42 70.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.32 -27.73 64.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.355 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -76.81 -37.1 56.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.156 -0.34 . . . . 0.0 110.6 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.33 -39.26 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.47 -46.75 88.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.15 0.432 . . . . 0.0 110.47 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.5 mtm -67.04 -27.62 67.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.53 62.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.271 0.487 . . . . 0.0 110.959 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.4 -17.19 58.37 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.974 0.51 . . . . 0.0 111.564 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -66.26 -9.09 29.15 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 26.9 4.03 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-O 121.451 0.643 . . . . 0.0 110.714 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.6 p30 -48.17 -5.45 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -155.13 25.24 0.42 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.042 1.292 . . . . 0.0 112.749 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -72.04 -162.15 0.09 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.826 0.822 . . . . 0.0 111.437 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.7 t -144.16 152.96 41.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.572 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.7 mtt -76.24 -11.17 59.87 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.829 0.452 . . . . 0.0 110.472 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.94 -3.66 7.41 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 119.555 -0.581 . . . . 0.0 111.991 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -149.66 -16.68 0.27 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.04 0.92 . . . . 0.0 113.009 -177.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -152.91 154.07 34.3 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 119.058 0.844 . . . . 0.0 111.805 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.95 128.09 35.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 111.74 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.472 HD11 HD21 ' A' ' 18' ' ' LEU . 19.2 mm -121.59 161.38 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 175.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -146.55 157.9 43.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 111.374 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -142.09 154.1 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -156.41 156.24 33.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -72.34 151.69 42.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.909 -0.494 . . . . 0.0 110.943 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.1 t -141.28 173.83 11.11 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.094 0.558 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -150.32 13.07 0.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.576 0.75 . . . . 0.0 112.002 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 79.38 -28.07 0.15 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.745 2.018 . . . . 0.0 113.274 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -67.67 -40.2 84.46 Favored 'General case' 0 CA--C 1.524 -0.037 0 CA-C-N 119.083 0.856 . . . . 0.0 110.406 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.52 -45.09 73.17 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -61.84 -43.25 99.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.273 -175.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.12 -33.11 75.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.335 0.254 . . . . 0.0 111.441 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -69.88 -55.16 10.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.77 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.14 -26.49 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 117.91 0.323 . . . . 0.0 111.745 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.83 -8.83 31.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.812 0.733 . . . . 0.0 110.795 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -138.63 9.12 2.63 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -148.45 8.08 0.79 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.0 t -69.16 -0.65 6.25 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.759 -0.588 . . . . 0.0 112.129 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.2 -179.44 48.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--O 1.252 1.183 0 C-N-CA 124.913 3.742 . . . . 0.0 112.969 178.235 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.523 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C5'-C4'-C3' 109.955 -3.697 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.487 " C4'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.408 -3.785 3 P-O3'-C3' 125.194 4.578 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C5'-C4'-C3' 109.955 -3.697 . 0.228 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.498 ' C8 ' H5'' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.84 1 C5'-C4'-C3' 108.917 -4.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.417 ' N3 ' " C3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C5'-C4'-C3' 112.217 -2.189 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.417 " C3'" ' N3 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.759 1 P-O3'-C3' 126.227 5.439 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 89.9 mtp 55.91 178.78 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.662 1.185 . . . . 0.0 112.521 -176.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.1 pt? -158.64 172.08 18.93 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.108 0.563 . . . . 0.0 111.04 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 -179.05 46.44 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.57 155.49 13.27 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.999 3.133 . . . . 0.0 112.219 176.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.73 4.15 1.31 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.472 0.309 . . . . 0.0 111.745 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.23 -178.47 48.75 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 118.28 0.491 . . . . 0.0 112.585 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.15 20.97 0.09 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.724 -0.951 . . . . 0.0 110.724 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.62 8.87 1.26 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.416 1.086 . . . . 0.0 112.869 -172.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.35 -5.51 7.86 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.885 -0.397 . . . . 0.0 112.504 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 49.78 26.05 1.76 Allowed 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 124.092 0.957 . . . . 0.0 110.971 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.55 155.51 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.91 154.78 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 121.043 0.449 . . . . 0.0 109.971 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -89.47 157.44 18.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -135.66 142.84 45.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.135 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' H ' HD13 ' A' ' 15' ' ' LEU . 40.0 ttm180 -149.67 148.35 29.18 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.96 -167.6 18.31 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.545 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 83' ' ' ILE . 31.4 mt 63.38 156.08 0.12 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 125.302 1.441 . . . . 0.0 112.79 -177.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.79 69.57 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.903 3.735 . . . . 0.0 112.128 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.433 ' CH2' ' C4 ' ' B' ' 1' ' ' ' A' . 0.0 OUTLIER 47.81 24.94 0.64 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.589 1.555 . . . . 0.0 113.623 176.161 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -151.13 146.52 26.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.801 -0.562 . . . . 0.0 110.52 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 t -166.93 178.79 5.6 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.95 0.9 . . . . 0.0 108.895 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.8 p -146.5 163.48 35.58 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.92 0.488 . . . . 0.0 109.715 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -68.47 -19.45 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.169 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.52 -27.86 27.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.653 0.206 . . . . 0.0 111.27 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.86 -34.42 39.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.982 0.355 . . . . 0.0 110.055 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -72.91 -37.72 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 117.749 0.25 . . . . 0.0 110.802 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.91 -25.47 61.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.605 0.639 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -28.27 65.09 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.591 0.357 . . . . 0.0 110.975 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -86.98 -19.31 28.91 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -102.85 63.67 0.84 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.822 0.849 . . . . 0.0 109.075 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 m -53.75 146.81 12.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.908 0.483 . . . . 0.0 110.824 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 59.11 -3.88 0.08 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.977 1.711 . . . . 0.0 114.482 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.7 m -81.95 -177.76 6.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 119.076 0.853 . . . . 0.0 110.435 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m -139.88 138.41 35.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.484 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.3 mp -99.69 43.29 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 109.76 -173.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.9 t60 62.33 -27.98 0.07 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.151 1.78 . . . . 0.0 114.221 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.13 -25.31 0.09 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.378 1.471 . . . . 0.0 110.673 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.67 126.91 0.36 Allowed Glycine 0 C--N 1.338 0.65 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.63 12.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.868 0.867 . . . . 0.0 112.99 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.35 16.77 2.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.338 1.055 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.38 6.92 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -78.75 159.0 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 117.425 0.612 . . . . 0.0 109.871 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -153.89 161.95 41.61 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.587 0.755 . . . . 0.0 109.797 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.06 170.33 18.62 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.227 1.011 . . . . 0.0 109.349 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.518 HD11 ' CE2' ' A' ' 58' ' ' PHE . 36.6 mt -133.78 117.62 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 118.004 0.366 . . . . 0.0 110.554 -175.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -160.9 -176.16 5.35 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.578 0.751 . . . . 0.0 110.539 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.9 p -137.86 164.61 28.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.488 0.661 . . . . 0.0 110.723 176.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.66 0.71 12.02 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.507 1.123 . . . . 0.0 113.15 -176.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -146.54 32.74 0.96 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.243 0.474 . . . . 0.0 110.789 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.4 -135.19 2.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.356 -0.697 . . . . 0.0 111.356 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -145.56 173.68 11.83 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 125.322 1.449 . . . . 0.0 108.255 -174.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -58.87 136.71 57.92 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -68.59 -12.07 60.83 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.429 0.157 . . . . 0.0 111.015 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.74 4.61 39.53 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -135.57 164.0 28.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.848 0.832 . . . . 0.0 112.411 -172.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.1 -176.85 4.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.82 1.248 . . . . 0.0 109.5 -176.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.518 ' CE2' HD11 ' A' ' 46' ' ' ILE . 96.6 m-85 -140.87 166.23 25.35 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-O 121.115 0.483 . . . . 0.0 110.454 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -144.83 112.72 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.29 146.77 45.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.77 -174.71 3.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.454 0.57 . . . . 0.0 110.668 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.33 -22.96 7.19 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.09 -0.839 . . . . 0.0 113.809 -172.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -148.71 164.51 34.15 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 118.521 1.16 . . . . 0.0 111.03 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -59.0 -32.98 70.19 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.93 -25.47 66.37 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 122.046 -0.409 . . . . 0.0 111.36 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.62 -40.15 50.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.68 -39.02 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -56.44 -51.04 69.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.7 mtm -64.75 -28.22 69.43 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.493 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -74.18 -29.09 61.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.063 -0.398 . . . . 0.0 111.548 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -79.49 -14.41 58.91 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.722 0.409 . . . . 0.0 111.858 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.49 -10.39 57.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -130.75 33.06 4.28 Favored 'General case' 0 N--CA 1.458 -0.044 0 CA-C-N 118.703 0.683 . . . . 0.0 111.209 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.56 -7.29 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.97 24.04 0.38 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 120.08 1.309 . . . . 0.0 112.712 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.9 -158.77 0.07 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.531 0.681 . . . . 0.0 111.511 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -143.48 149.06 37.01 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.141 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.7 mtt -73.24 -12.42 60.86 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.06 -13.46 4.97 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -145.33 -6.44 0.64 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -156.56 148.1 22.56 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.401 1.001 . . . . 0.0 112.275 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.18 128.55 36.31 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.226 2.21 . . . . 0.0 111.028 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.446 HD11 HD21 ' A' ' 18' ' ' LEU . 23.5 mm -120.97 163.72 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 83' ' ' ILE . 12.6 mt-10 -147.66 154.5 40.69 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.855 0.462 . . . . 0.0 110.106 176.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -145.8 156.81 12.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.51 ' CD1' " H3'" ' B' ' 6' ' ' ' U' . 18.8 t80 -157.59 165.45 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -82.1 151.56 26.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.582 0.23 . . . . 0.0 110.431 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -149.14 176.89 10.1 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.815 0.446 . . . . 0.0 110.663 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -148.04 12.9 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 111.705 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 78.82 -27.91 0.16 Allowed 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 125.49 1.516 . . . . 0.0 113.778 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.2 m -68.82 -39.02 80.24 Favored 'General case' 0 C--N 1.335 -0.023 0 CA-C-N 118.731 0.696 . . . . 0.0 109.878 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.7 -38.11 80.03 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 62.0 ttp -56.6 -46.76 80.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 -30.14 70.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.788 0.435 . . . . 0.0 111.88 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -73.33 -21.56 60.52 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.1 -12.71 10.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.116 0.416 . . . . 0.0 111.787 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.39 -5.4 36.19 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.196 -0.94 . . . . 0.0 111.533 173.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -131.54 3.44 4.21 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 122.878 0.471 . . . . 0.0 112.259 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -158.54 143.61 16.3 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.5 m -150.2 169.04 22.26 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.918 0.389 . . . . 0.0 110.437 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -174.39 177.97 46.37 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 124.067 3.178 . . . . 0.0 111.045 179.778 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.463 " H1'" " H4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.395 1 N19-C1'-C2' 119.932 4.083 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.463 " H4'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.408 -3.731 3 O4'-C1'-N19 115.041 6.841 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 2 O4'-C1'-N19 114.608 6.408 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 1 O4'-C1'-N19 113.228 5.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.629 " H1'" ' C6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 111.322 3.122 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.629 ' C6 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.376 2 C5'-C4'-C3' 107.044 -5.638 . 0.01 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 73.7 mtm -67.16 169.93 7.81 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.777 0.431 . . . . 0.0 110.768 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.92 -10.09 50.45 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.696 0.398 . . . . 0.0 111.423 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.83 176.18 40.58 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -71.8 -1.88 10.58 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 124.028 3.152 . . . . 0.0 111.809 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -140.73 12.01 2.27 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.397 0.679 . . . . 0.0 110.603 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.52 -16.29 58.86 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 119.711 -0.494 . . . . 0.0 112.04 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.08 -171.03 18.68 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 117.5 0.65 . . . . 0.0 112.625 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.52 ' H ' ' HB3' ' A' ' 89' ' ' HIS . 45.3 mt-10 49.75 91.52 0.02 OUTLIER 'General case' 0 C--O 1.231 0.117 0 C-N-CA 125.537 1.535 . . . . 0.0 112.529 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.07 179.1 18.17 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 2.9 m-30 -84.0 47.09 1.26 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.42 0.629 . . . . 0.0 109.446 -178.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.98 148.72 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.76 157.46 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 CA-C-O 121.221 0.534 . . . . 0.0 111.623 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -88.4 157.92 18.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -144.47 141.07 29.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' HD13 ' A' ' 15' ' ' LEU . 58.1 ttp180 -155.1 152.02 29.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.73 -177.29 20.28 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 112.101 -0.399 . . . . 0.0 112.101 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 19.6 mt 59.21 167.8 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 124.462 1.105 . . . . 0.0 112.269 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 18.9 Cg_endo -54.34 143.37 65.75 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 121.672 1.581 . . . . 0.0 108.243 168.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.495 ' CZ3' ' C4 ' ' B' ' 2' ' ' ' G' . 0.3 OUTLIER -72.64 67.36 0.77 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.299 0.571 . . . . 0.0 112.154 -174.419 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -155.56 17.67 0.39 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.133 1.373 . . . . 0.0 110.304 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.64 170.81 1.31 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.927 1.291 . . . . 0.0 112.306 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -143.15 168.65 19.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.402 0.681 . . . . 0.0 111.109 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.408 ' CG1' HG11 ' A' ' 43' ' ' VAL . 1.9 m -64.98 -19.26 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 123.289 0.636 . . . . 0.0 112.614 -174.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.89 -28.29 30.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 111.159 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.99 -37.47 47.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.075 0.398 . . . . 0.0 109.977 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.13 -42.37 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 119.351 -0.357 . . . . 0.0 111.081 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.7 -21.03 57.95 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.096 0.862 . . . . 0.0 111.28 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.96 65.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.321 0.248 . . . . 0.0 111.033 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -84.9 -33.84 22.68 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.38 51.96 2.37 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 7.4 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 114.891 -174.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -122.73 0.66 9.31 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-N 118.374 0.534 . . . . 0.0 110.454 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.9 m -111.91 -174.76 2.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.886 0.874 . . . . 0.0 110.799 -172.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.6 m -139.63 132.51 29.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -82.74 141.03 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -49.94 -35.36 23.81 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -150.67 1.7 0.44 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.017 0.527 . . . . 0.0 111.773 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.74 -133.34 11.44 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 1.94 0.63 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.917 0.487 . . . . 0.0 112.182 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.21 17.3 21.09 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.401 1.081 . . . . 0.0 110.409 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.87 27.74 3.15 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.408 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.0 p -118.44 161.81 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.144 0.578 . . . . 0.0 110.152 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -150.98 158.8 44.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.509 0.724 . . . . 0.0 109.474 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -147.61 143.81 27.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mm -92.68 143.33 11.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -164.82 176.15 9.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.138 0.575 . . . . 0.0 110.167 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 p -142.19 174.84 10.24 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.857 0.863 . . . . 0.0 109.041 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -29.07 64.49 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 116.976 -0.102 . . . . 0.0 110.884 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -168.38 105.57 0.46 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.125 0.97 . . . . 0.0 109.749 173.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -177.2 -45.97 0.06 OUTLIER Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.588 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -161.64 169.38 21.71 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.557 0.743 . . . . 0.0 109.429 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -154.01 141.82 20.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m 34.99 56.18 0.76 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.948 1.299 . . . . 0.0 113.672 173.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.17 1.62 6.68 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -156.28 149.35 24.22 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.18 -178.88 6.65 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.709 0.766 . . . . 0.0 112.703 -170.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.24 159.47 42.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.889 1.276 . . . . 0.0 107.597 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -142.08 117.7 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.38 148.48 29.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.3 mt -127.02 -173.58 2.93 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.176 0.512 . . . . 0.0 111.293 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.43 -32.9 6.42 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.507 -175.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -151.93 169.09 23.15 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.447 1.124 . . . . 0.0 111.894 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 39.1 tp10 -60.92 -27.05 67.92 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.031 0.532 . . . . 0.0 110.672 176.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.65 -27.59 64.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.29 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -76.62 -36.42 57.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.386 0.274 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -69.4 -39.72 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.7 -45.24 94.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.396 0.544 . . . . 0.0 110.51 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 48.8 mtm -68.08 -25.18 65.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.34 -28.79 63.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.203 0.456 . . . . 0.0 111.113 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.12 -14.6 57.53 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.406 0.682 . . . . 0.0 112.076 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.16 -4.38 13.62 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -136.16 26.71 3.22 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 124.052 0.941 . . . . 0.0 109.618 -178.513 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -48.76 -14.34 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -157.33 15.53 0.26 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 119.902 1.228 . . . . 0.0 113.336 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 73' ' ' LYS . 10.3 pt-20 -78.83 -161.08 0.26 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.963 -0.461 . . . . 0.0 110.257 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.0 t -130.98 154.78 47.8 Favored 'General case' 0 N--CA 1.458 -0.054 0 O-C-N 121.903 -0.498 . . . . 0.0 112.011 -171.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.68 -17.69 64.98 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.996 0.518 . . . . 0.0 110.129 174.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.67 -5.68 5.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -151.31 -11.66 0.21 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -155.53 147.72 23.63 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.234 0.924 . . . . 0.0 112.136 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.83 131.38 46.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.372 2.269 . . . . 0.0 111.411 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 84' ' ' GLU . 25.4 mm -122.43 167.37 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' HG22 ' A' ' 83' ' ' ILE . 9.9 mt-10 -145.8 147.07 31.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.862 0.465 . . . . 0.0 109.921 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.57 153.71 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.113 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.48 ' HB2' " H2'" ' B' ' 6' ' ' ' U' . 30.2 t80 -156.8 156.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.55 152.96 37.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -140.49 179.22 6.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.56 . . . . 0.0 110.648 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.52 ' HB3' ' H ' ' A' ' 9' ' ' GLU . 14.8 p80 -144.19 12.56 1.59 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.493 0.717 . . . . 0.0 110.898 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 74.35 -26.63 0.19 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.299 1.439 . . . . 0.0 113.66 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -70.18 -38.52 75.39 Favored 'General case' 0 C--N 1.335 -0.033 0 CA-C-N 118.54 0.609 . . . . 0.0 109.954 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.8 -38.7 76.72 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.72 -40.87 89.46 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -70.75 -28.36 64.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -74.35 -60.5 2.24 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.69 -24.72 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.159 0.436 . . . . 0.0 111.722 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.22 -4.9 23.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.361 0.528 . . . . 0.0 111.048 175.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -136.42 5.59 2.97 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.779 0.832 . . . . 0.0 112.161 -175.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -144.92 22.3 1.58 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.565 0.746 . . . . 0.0 110.679 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -61.42 -11.75 11.69 Favored 'General case' 0 C--O 1.23 0.05 0 C-N-CA 123.858 0.863 . . . . 0.0 113.192 -178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -177.3 -179.15 47.47 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.906 3.738 . . . . 0.0 112.877 178.189 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.525 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 N19-C1'-C2' 119.71 3.943 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.495 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.411 -3.478 2 O4'-C1'-N19 113.488 5.288 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 114.037 5.837 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 2 O4'-C1'-N19 112.911 4.711 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.574 " H1'" ' C5 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.0 2 P-O3'-C3' 125.397 4.748 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.574 ' C5 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 112.083 3.883 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.263 0.078 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.52 -0.62 0.47 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.85 -22.99 63.22 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.852 0.296 . . . . 0.0 111.206 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.42 -178.77 37.2 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 167.61 1.19 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 124.739 3.626 . . . . 0.0 112.914 174.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -138.45 7.61 2.6 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.315 0.646 . . . . 0.0 111.083 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.56 175.1 46.13 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.16 -177.47 44.08 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' C ' ' HA ' ' A' ' 89' ' ' HIS . 36.5 mt-10 65.81 -27.0 0.11 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.557 1.943 . . . . 0.0 113.982 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 52.26 -2.27 0.01 OUTLIER Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.164 1.84 . . . . 0.0 116.518 173.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 53.9 39.93 30.99 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 118.393 1.097 . . . . 0.0 109.376 -167.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.8 t -121.87 151.12 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.58 168.92 19.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -103.16 159.2 15.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.549 0.74 . . . . 0.0 109.168 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -141.1 138.71 33.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.679 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' H ' HD13 ' A' ' 15' ' ' LEU . 3.0 ptm180 -155.35 149.25 25.51 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.08 -165.62 24.27 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 121.537 -0.364 . . . . 0.0 112.492 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.511 HD21 HD11 ' A' ' 83' ' ' ILE . 34.9 mt 59.69 148.36 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 C-N-CA 125.589 1.555 . . . . 0.0 114.177 -177.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.35 98.52 0.33 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 124.366 3.378 . . . . 0.0 112.096 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.537 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 0.0 OUTLIER 48.69 9.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.374 1.87 . . . . 0.0 115.971 176.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -156.04 155.58 32.91 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 120.302 1.41 . . . . 0.0 113.036 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.3 t -166.38 165.03 17.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.057 1.343 . . . . 0.0 108.07 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -144.84 162.51 36.62 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.07 -21.12 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -80.71 -24.32 38.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.777 0.262 . . . . 0.0 111.49 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -84.13 -33.97 24.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.003 0.365 . . . . 0.0 110.34 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.31 -36.77 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 O-C-N 122.374 -0.204 . . . . 0.0 110.777 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.13 -27.53 62.68 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.028 0.376 . . . . 0.0 110.043 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.44 63.87 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.864 0.466 . . . . 0.0 111.625 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -88.23 -22.12 24.14 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 8.2 mp -102.99 60.3 0.78 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m -57.93 5.65 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.258 1.823 . . . . 0.0 115.656 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -137.19 6.97 2.86 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.982 0.81 . . . . 0.0 111.403 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 67.5 m -113.67 -179.26 3.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.112 0.565 . . . . 0.0 111.251 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 m -136.94 123.24 20.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.1 mp -83.39 41.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 124.954 1.302 . . . . 0.0 109.957 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.1 t60 60.16 -18.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.776 1.63 . . . . 0.0 113.66 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.6 m-20 -155.41 -37.41 0.09 Allowed 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.839 1.656 . . . . 0.0 109.067 176.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.24 1.38 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 124.208 0.908 . . . . 0.0 111.247 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.7 12.2 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.049 1.34 . . . . 0.0 110.503 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -126.57 18.66 7.43 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.115 0.566 . . . . 0.0 111.084 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.28 6.0 4.62 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.46 161.21 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.285 0.634 . . . . 0.0 109.93 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -154.72 156.0 35.59 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.133 0.573 . . . . 0.0 110.456 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -148.18 164.3 34.36 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.491 HG12 ' H ' ' A' ' 56' ' ' GLU . 1.3 mm -107.35 10.45 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 122.04 0.924 . . . . 0.0 111.482 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -166.52 172.98 10.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 127.121 2.169 . . . . 0.0 107.435 -174.71 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.7 p -148.2 173.08 13.35 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 118.654 0.661 . . . . 0.0 111.432 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -22.13 53.66 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.024 0.529 . . . . 0.0 111.89 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.87 -24.89 39.74 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 173.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.46 -15.63 0.02 OUTLIER Glycine 0 CA--C 1.532 1.104 0 N-CA-C 116.395 1.318 . . . . 0.0 116.395 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 40.4 mmt180 49.69 56.08 8.4 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 119.574 1.687 . . . . 0.0 111.488 176.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.514 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 25.2 mp0 -54.27 -32.66 56.76 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.504 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 44.9 t 128.19 144.27 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 128.56 2.744 . . . . 0.0 107.713 178.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 161.28 -164.38 34.92 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.145 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' H ' HG12 ' A' ' 46' ' ' ILE . 98.0 mt-10 -136.74 -152.41 0.45 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.125 1.37 . . . . 0.0 109.185 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' LEU . . . -150.9 172.43 15.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.252 0.548 . . . . 0.0 111.146 -177.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.407 ' CG ' ' HG3' ' A' ' 93' ' ' MET . 97.2 m-85 -141.7 161.55 37.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.511 HG13 HG23 ' A' ' 36' ' ' ILE . 38.7 t -144.71 104.69 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.15 147.33 46.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.96 -175.58 3.39 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.189 0.519 . . . . 0.0 111.547 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.73 -33.75 6.91 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.425 -174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -151.77 170.07 20.67 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.225 1.013 . . . . 0.0 111.783 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.16 -28.11 67.65 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.46 0.704 . . . . 0.0 111.025 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.26 -28.72 64.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.7 -0.625 . . . . 0.0 110.454 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -74.97 -38.09 61.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.2 -0.313 . . . . 0.0 110.611 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -39.89 82.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.26 -45.12 95.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.142 0.428 . . . . 0.0 110.335 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.0 mtm -67.13 -28.72 68.38 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.021 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.28 -14.32 58.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.011 0.524 . . . . 0.0 111.594 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.52 -7.58 33.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 27.61 4.18 Favored 'General case' 0 C--N 1.337 0.045 0 CA-C-N 118.586 0.63 . . . . 0.0 110.597 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -46.38 -10.37 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 -177.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -151.46 18.95 0.73 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 120.397 1.453 . . . . 0.0 112.072 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -71.7 -161.51 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.745 0.783 . . . . 0.0 112.377 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 t -143.16 149.03 37.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.086 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.6 mtt -73.11 -11.52 60.57 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 122.496 0.319 . . . . 0.0 110.356 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.77 -13.11 3.41 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.608 -0.551 . . . . 0.0 111.77 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -153.48 -3.85 0.2 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 117.912 0.856 . . . . 0.0 113.027 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -150.86 144.72 25.2 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.265 0.938 . . . . 0.0 112.412 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' CE2' ' C4 ' ' B' ' 3' ' ' ' G' . 2.7 t80 -64.68 125.44 24.76 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 127.528 2.331 . . . . 0.0 110.999 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.511 HD11 HD21 ' A' ' 18' ' ' LEU . 20.7 mm -121.06 161.21 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 176.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 83' ' ' ILE . 23.2 mt-10 -148.09 154.44 40.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.093 0.473 . . . . 0.0 111.1 178.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.37 145.58 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -146.67 152.24 38.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -75.09 145.81 41.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.966 0.412 . . . . 0.0 111.391 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -138.41 -174.26 3.76 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.021 0.529 . . . . 0.0 110.402 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.403 ' HA ' ' C ' ' A' ' 9' ' ' GLU . 10.0 p80 -155.35 16.53 0.4 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.612 0.765 . . . . 0.0 111.676 -177.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 76.52 -28.82 0.18 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.341 1.456 . . . . 0.0 113.176 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -68.24 -38.73 82.15 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.4 0.545 . . . . 0.0 109.838 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -70.7 -33.74 71.21 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.407 ' HG3' ' CG ' ' A' ' 58' ' ' PHE . 63.0 ttp -59.58 -49.76 76.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.39 -28.25 68.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.843 0.457 . . . . 0.0 111.503 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.73 -19.44 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.4 0.68 . . . . 0.0 112.184 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 p -121.35 -24.62 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 118.004 0.365 . . . . 0.0 111.723 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.79 -3.37 21.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.905 0.775 . . . . 0.0 111.485 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -124.39 5.67 8.37 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.156 0.582 . . . . 0.0 112.436 -176.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -151.34 -4.53 0.28 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.9 m 52.59 11.99 0.22 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.8 -175.95 46.36 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo . . . . . 0 C--O 1.25 1.121 0 C-N-CA 124.209 3.272 . . . . 0.0 110.999 177.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.537 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -2.984 1 N19-C1'-C2' 120.321 4.326 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.636 0 O4'-C1'-N19 111.861 3.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.402 ' C4 ' ' CE2' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.421 -2.678 2 O4'-C1'-N19 113.357 5.157 OUTLIER-DELTA 0.011 1b . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 1 O4'-C1'-N19 112.382 4.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.459 " O3'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 O4'-C1'-N19 110.714 2.514 . 0.354 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.459 " H3'" " O3'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.099 0 O4'-C1'-N19 111.438 3.238 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttm . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.5 mmt -65.41 163.31 15.98 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 122.759 0.424 . . . . 0.0 111.163 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.64 -11.36 60.81 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.576 0.351 . . . . 0.0 110.949 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.81 173.05 37.68 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.69 158.04 43.65 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.707 2.938 . . . . 0.0 110.782 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -158.99 177.73 10.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.982 0.513 . . . . 0.0 110.556 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.56 23.53 0.84 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 112.21 -0.356 . . . . 0.0 112.21 -177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.31 176.11 36.14 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -146.33 16.45 1.33 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.812 0.445 . . . . 0.0 111.968 -172.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.78 175.56 24.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 3.8 m-30 -82.56 42.49 0.77 Allowed 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.781 0.832 . . . . 0.0 109.918 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.77 149.39 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -138.76 163.31 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 111.353 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -99.02 159.61 14.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -140.33 139.77 35.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.825 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' N ' HD13 ' A' ' 15' ' ' LEU . 93.4 mtt180 -149.85 149.81 31.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' HA2' ' N1 ' ' B' ' 3' ' ' ' G' . . . 148.33 -178.33 25.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.519 173.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.414 HD21 HD11 ' A' ' 83' ' ' ILE . 27.1 mt 61.33 162.02 0.11 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 125.809 1.644 . . . . 0.0 114.135 178.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.34 79.16 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.458 1 C-N-CA 126.478 4.785 . . . . 0.0 114.54 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.524 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 6.1 m95 53.69 0.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 177.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -151.97 161.72 42.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 120.831 1.651 . . . . 0.0 112.808 -176.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -160.2 -177.35 6.21 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.873 1.269 . . . . 0.0 108.617 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.3 p -143.35 165.43 27.53 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.398 0.545 . . . . 0.0 111.025 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.33 -19.53 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.12 -29.32 24.93 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.109 0.413 . . . . 0.0 111.195 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -79.06 -32.61 44.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.066 0.394 . . . . 0.0 110.227 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -74.88 -37.03 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.464 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -72.17 -26.88 62.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.732 0.696 . . . . 0.0 110.579 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -28.69 62.15 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.271 0.229 . . . . 0.0 110.589 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -84.44 -28.17 27.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.852 0.461 . . . . 0.0 112.09 -174.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -89.28 60.14 5.17 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.2 p -50.42 146.42 5.38 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.134 0.573 . . . . 0.0 110.83 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.33 -10.08 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.179 1.792 . . . . 0.0 114.425 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.78 178.9 5.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 119.52 1.055 . . . . 0.0 110.08 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -140.55 109.26 5.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.527 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -69.75 141.83 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -46.55 -36.19 6.55 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.216 1.006 . . . . 0.0 113.412 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -153.16 9.79 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.324 0.65 . . . . 0.0 111.172 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.97 -121.2 6.17 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.14 3.14 0.46 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.063 0.945 . . . . 0.0 112.546 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.42 15.15 7.71 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.757 0.823 . . . . 0.0 110.842 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.71 -2.42 3.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.23 163.79 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -150.58 161.04 43.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.294 172.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -147.33 172.6 13.63 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.733 0.813 . . . . 0.0 109.184 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 58' ' ' PHE . 33.3 mt -129.63 138.93 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -159.15 175.86 12.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.934 0.494 . . . . 0.0 110.727 -173.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.1 p -145.52 177.47 8.84 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.072 0.949 . . . . 0.0 109.616 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.05 -25.41 63.7 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 122.505 0.322 . . . . 0.0 111.167 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -60.71 -26.8 67.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.658 0.783 . . . . 0.0 112.427 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.67 21.47 61.74 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.543 -0.587 . . . . 0.0 113.814 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -69.79 -16.68 63.33 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.41 1.105 . . . . 0.0 112.757 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 40.43 57.51 2.5 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.194 0.997 . . . . 0.0 111.788 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 m -46.95 155.9 0.24 Allowed 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 125.422 1.489 . . . . 0.0 113.802 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.96 -11.72 84.9 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 175.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.6 135.57 56.89 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.22 179.39 7.46 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.404 0.621 . . . . 0.0 112.352 -170.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.5 m-85 -138.39 163.8 30.96 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.169 0.988 . . . . 0.0 109.44 173.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.4 t -145.54 119.27 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -81.66 150.75 27.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.7 -171.77 2.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.909 0.385 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.96 -32.05 5.46 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.478 -175.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -152.37 170.15 20.79 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.414 1.107 . . . . 0.0 111.881 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 34.6 tt0 -59.78 -29.22 68.06 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.344 0.657 . . . . 0.0 110.955 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.25 -26.48 63.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.784 -0.573 . . . . 0.0 110.617 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -78.35 -37.62 43.92 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.492 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -39.45 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.76 -46.64 88.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 110.128 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.67 -28.9 68.82 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.33 62.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.349 0.522 . . . . 0.0 111.083 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 mt -84.69 -14.75 47.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.907 0.483 . . . . 0.0 111.467 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.61 -7.25 37.13 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 25.12 4.34 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-O 121.534 0.683 . . . . 0.0 110.445 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -45.11 -12.81 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -148.67 25.13 0.96 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.488 1.494 . . . . 0.0 112.646 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.36 -168.77 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.769 0.713 . . . . 0.0 112.118 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.0 p -141.03 1.22 1.63 Allowed 'General case' 0 C--N 1.335 -0.044 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 57.6 mtt 53.08 10.93 0.19 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.696 0.68 . . . . 0.0 111.433 -171.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.76 6.07 88.46 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.016 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -144.1 -11.0 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.749 1.275 . . . . 0.0 114.269 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.516 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 12.4 tpt180 -154.44 -122.67 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.253 0.933 . . . . 0.0 110.889 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.516 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.4 t80 -162.88 117.51 1.73 Allowed 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.414 HD11 HD21 ' A' ' 18' ' ' LEU . 5.7 mm -121.57 157.18 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -144.65 157.33 44.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.189 0.519 . . . . 0.0 111.438 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.8 153.88 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -153.17 149.58 28.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -73.25 149.72 42.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.112 -0.368 . . . . 0.0 110.113 -175.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 t -140.08 -171.36 3.17 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 3.3 p80 -141.84 -44.1 0.35 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.084 -175.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 133.04 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 128.588 2.755 . . . . 0.0 112.795 171.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.9 m -69.0 -35.74 77.02 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.311 0.505 . . . . 0.0 110.26 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.72 -37.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.1 ttp -63.13 -35.46 80.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.569 0.348 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.82 -27.46 60.3 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.245 -0.284 . . . . 0.0 111.388 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -77.41 -68.38 0.62 Allowed 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.93 -18.85 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -19.03 57.31 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.027 0.531 . . . . 0.0 111.364 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -139.12 12.44 2.62 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.142 0.977 . . . . 0.0 112.238 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -137.39 11.67 3.0 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.109 0.413 . . . . 0.0 112.014 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.4 t -62.45 165.0 6.6 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.776 0.322 . . . . 0.0 110.433 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.18 172.7 37.49 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.929 3.753 . . . . 0.0 113.107 -177.847 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.522 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 N19-C1'-C2' 119.597 3.873 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.524 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.409 -3.651 1 P-O3'-C3' 124.95 4.375 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.429 ' N1 ' ' HA2' ' A' ' 17' ' ' GLY . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 C1'-O4'-C4' 106.024 -3.974 OUTLIER-EPSILON 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.48 " H3'" H5'' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.744 1 C5'-C4'-C3' 108.853 -4.432 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.48 H5'' " H3'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 1 C5'-C4'-C3' 107.947 -5.035 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 1 C5'-C4'-C3' 108.862 -4.425 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.1 mpt? 53.51 15.84 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.497 1.119 . . . . 0.0 113.187 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.6 tp -154.07 -19.19 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.813 0.445 . . . . 0.0 110.834 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.78 175.86 37.94 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.55 171.48 18.07 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.15 3.233 . . . . 0.0 110.825 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -141.81 10.1 1.99 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.208 0.603 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.73 177.68 47.43 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.91 27.54 26.04 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -127.93 23.63 6.12 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.463 0.632 . . . . 0.0 112.245 -171.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.3 171.97 23.71 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.2 m-85 -88.72 45.35 1.28 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.789 0.836 . . . . 0.0 109.773 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.55 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.95 156.57 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.35 0.595 . . . . 0.0 111.506 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -87.25 158.6 19.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.65 133.98 29.77 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -145.45 145.71 31.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.461 ' HA2' ' N1 ' ' B' ' 3' ' ' ' G' . . . 138.59 -174.09 22.21 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.194 -0.527 . . . . 0.0 114.201 173.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD21 HD11 ' A' ' 83' ' ' ILE . 24.2 mt 62.91 165.83 0.11 Allowed Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 125.164 1.386 . . . . 0.0 113.394 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 74.7 Cg_exo -51.6 60.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.609 1 C-N-CA 127.384 5.389 . . . . 0.0 116.68 174.479 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.426 ' CH2' ' C4 ' ' B' ' 1' ' ' ' A' . 1.1 m95 58.56 9.24 1.04 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.28 1.432 . . . . 0.0 114.328 174.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.5 p -158.91 158.78 34.03 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.309 0.504 . . . . 0.0 111.294 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -163.83 -174.84 3.81 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.725 1.21 . . . . 0.0 109.433 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -141.5 167.25 22.62 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.688 0.395 . . . . 0.0 110.95 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.77 -20.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.066 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.17 -26.47 36.0 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.086 0.403 . . . . 0.0 111.683 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -82.62 -35.89 26.6 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.197 0.453 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.98 -34.81 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.198 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.78 -25.68 49.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.468 0.576 . . . . 0.0 110.914 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -25.0 64.24 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 172.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -93.59 -21.4 19.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.125 0.57 . . . . 0.0 111.741 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -109.41 52.38 0.72 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.4 p -62.77 7.8 0.07 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.693 1.597 . . . . 0.0 114.954 -173.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -129.79 -1.22 4.8 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.31 0.504 . . . . 0.0 111.125 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.87 -177.19 5.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.527 0.731 . . . . 0.0 110.728 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -123.45 -16.05 6.94 Favored 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 123.217 0.607 . . . . 0.0 111.413 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.8 mt 54.07 26.04 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.551 1.14 . . . . 0.0 111.778 173.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 61.93 -19.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.606 1.562 . . . . 0.0 114.209 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.9 m-20 -155.15 -28.13 0.11 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.491 1.116 . . . . 0.0 111.435 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 -1.39 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 117.677 0.217 . . . . 0.0 113.283 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -173.33 3.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.064 1.346 . . . . 0.0 110.88 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.66 16.4 3.62 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.16 0.73 14.62 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 175.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.61 156.01 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.985 0.914 . . . . 0.0 109.718 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -151.27 151.22 31.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.193 0.597 . . . . 0.0 109.542 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -147.5 158.8 44.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 109.596 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.89 85.45 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -150.35 -176.71 5.58 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.455 1.102 . . . . 0.0 108.778 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -137.45 162.11 34.53 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.78 0.8 . . . . 0.0 112.153 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 6.26 3.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.272 1.429 . . . . 0.0 113.492 -177.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -145.94 23.16 1.39 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.378 0.609 . . . . 0.0 110.662 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.49 -133.81 1.98 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.68 -173.45 4.52 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.301 1.04 . . . . 0.0 109.301 -175.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -51.38 137.29 23.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.4 m -141.83 20.07 2.15 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.275 0.63 . . . . 0.0 111.215 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.51 17.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.388 -0.673 . . . . 0.0 112.617 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 51.33 -137.78 1.14 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.094 0.947 . . . . 0.0 111.356 -172.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.92 178.24 9.88 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -148.35 169.8 19.36 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.758 0.823 . . . . 0.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.3 t -147.1 116.65 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -79.14 150.83 31.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mt -129.77 -172.73 2.84 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.568 0.223 . . . . 0.0 110.69 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.66 -22.54 7.65 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.01 -0.884 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -158.56 173.4 16.67 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 119.045 1.422 . . . . 0.0 111.958 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.3 tt0 -58.71 -31.2 68.04 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.804 0.842 . . . . 0.0 110.438 174.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.0 -30.39 69.63 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 121.943 -0.473 . . . . 0.0 110.693 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.26 -39.38 54.53 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.303 -0.248 . . . . 0.0 110.701 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.6 -39.55 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtm -68.85 -28.69 66.95 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -27.74 62.36 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.392 0.542 . . . . 0.0 110.93 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -80.37 -15.48 56.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 122.836 0.455 . . . . 0.0 111.715 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.47 -8.85 36.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 24.97 3.76 Favored 'General case' 0 C--O 1.228 -0.079 0 CA-C-O 121.324 0.583 . . . . 0.0 110.713 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -48.09 -5.63 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -152.41 20.42 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.998 1.272 . . . . 0.0 113.103 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -70.76 -162.6 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 112.118 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 t -144.19 179.89 6.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.552 0.741 . . . . 0.0 110.997 -174.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtt -125.51 -7.51 6.9 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.548 0.739 . . . . 0.0 111.348 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.62 -4.03 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.343 -0.698 . . . . 0.0 113.722 175.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -147.33 -20.92 0.39 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.399 1.099 . . . . 0.0 112.099 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -158.73 153.72 25.13 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' CE1' ' C4 ' ' B' ' 3' ' ' ' G' 0.267 0.4 OUTLIER -90.17 159.94 16.49 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -172.543 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.49 HD11 HD21 ' A' ' 18' ' ' LEU . 4.9 mm -126.64 162.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -175.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -147.46 159.09 44.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.442 0.639 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.11 152.32 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -154.92 150.07 27.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -71.81 149.69 45.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.397 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.3 t -141.21 -167.47 2.4 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.486 0.315 . . . . 0.0 111.032 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -145.29 -39.19 0.25 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.697 -173.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 126.38 -22.93 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.664 2.786 . . . . 0.0 112.299 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.8 m -69.68 -39.26 77.07 Favored 'General case' 0 C--O 1.23 0.039 0 CA-C-N 118.292 0.497 . . . . 0.0 110.581 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.4 -38.61 78.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -60.0 -46.58 89.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.96 -28.77 68.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -70.51 -57.16 5.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.742 0.417 . . . . 0.0 111.883 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.92 -23.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 119.611 -0.233 . . . . 0.0 111.319 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -8.01 13.37 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.297 0.499 . . . . 0.0 110.923 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -138.96 11.33 2.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.175 0.99 . . . . 0.0 111.412 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -149.79 36.87 0.71 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.943 0.497 . . . . 0.0 110.662 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.0 p -51.83 151.42 3.48 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.483 0.713 . . . . 0.0 112.166 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . 169.92 -47.94 0.21 Allowed Glycine 0 CA--C 1.533 1.167 0 CA-C-O 118.441 -1.2 . . . . 0.0 113.803 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 68.5 Cg_endo . . . . . 0 C--O 1.252 1.177 0 C-N-CA 122.506 2.137 . . . . 0.0 111.584 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.55 " H1'" " H4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.551 1 C5'-C4'-C3' 109.255 -4.163 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.55 " H4'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.424 3 P-O3'-C3' 127.052 6.127 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.466 ' C4 ' ' CE1' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.419 -2.821 1 O4'-C1'-N19 112.605 4.405 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.512 ' C8 ' H5'' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.704 1 C3'-C2'-C1' 105.16 4.066 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.572 -3.128 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 P-O3'-C3' 123.048 2.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 N--CA 1.476 0.825 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 mpp? 52.83 7.84 0.08 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.797 1.639 . . . . 0.0 115.413 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.05 -4.18 5.68 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.04 0.836 . . . . 0.0 110.853 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.15 175.08 27.67 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.94 172.89 14.99 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 124.298 3.332 . . . . 0.0 110.688 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -139.47 11.72 2.53 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.953 0.501 . . . . 0.0 111.222 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.25 -9.3 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.908 -0.384 . . . . 0.0 112.44 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.19 162.18 37.38 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -149.54 12.16 0.8 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.089 0.556 . . . . 0.0 111.35 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.19 168.21 34.03 Favored Glycine 0 CA--C 1.526 0.777 0 O-C-N 121.862 -0.523 . . . . 0.0 112.225 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 -89.18 54.48 2.98 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 124.037 0.935 . . . . 0.0 110.153 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.78 153.42 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.86 165.42 26.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.184 0.516 . . . . 0.0 110.696 176.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -102.54 157.82 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' C ' ' HD2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -138.71 140.68 38.83 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.67 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HD2' ' C ' ' A' ' 15' ' ' LEU . 1.2 mpt_? -145.17 147.57 32.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.83 -173.84 22.97 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.718 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.468 HD21 HD11 ' A' ' 83' ' ' ILE . 31.8 mt 63.43 162.65 0.12 Allowed Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.672 1.589 . . . . 0.0 113.797 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 63.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.525 1 C-N-CA 127.117 5.211 . . . . 0.0 116.581 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.576 ' CH2' " H1'" ' B' ' 1' ' ' ' A' . 0.5 OUTLIER 55.58 8.29 0.3 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 113.653 174.195 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -160.7 156.29 25.22 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.375 0.67 . . . . 0.0 109.924 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -161.28 -179.15 7.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 109.981 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -139.11 162.92 33.76 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.018 0.527 . . . . 0.0 110.299 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -67.18 -16.81 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.75 -27.02 27.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.042 0.383 . . . . 0.0 111.593 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -80.48 -34.85 35.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.51 -39.42 70.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.773 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -71.75 -24.6 61.8 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.063 0.847 . . . . 0.0 110.866 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -25.44 63.74 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.445 0.298 . . . . 0.0 110.982 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -92.91 -25.87 17.86 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.467 0.307 . . . . 0.0 111.724 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 33' ' ' ASP . 2.0 mm? -106.44 50.43 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -64.79 20.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.217 1.407 . . . . 0.0 113.368 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 31' ' ' LEU . 24.6 m-20 -132.59 9.57 4.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.478 0.711 . . . . 0.0 110.857 -178.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.9 p -122.35 -166.14 1.37 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.896 0.478 . . . . 0.0 111.201 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.94 4.43 5.36 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 38' ' ' ASP . 2.7 mp 41.85 34.64 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 125.217 1.407 . . . . 0.0 111.751 -175.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.4 t60 62.17 -26.92 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.302 1.841 . . . . 0.0 114.25 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.5 m-20 -159.3 -22.93 0.07 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.298 1.439 . . . . 0.0 111.182 175.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.68 125.83 0.24 Allowed Glycine 0 C--N 1.338 0.661 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.8 11.91 0.16 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.821 0.848 . . . . 0.0 112.908 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 16.31 1.8 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.037 0.935 . . . . 0.0 111.392 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.09 4.63 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.82 160.54 5.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -151.24 156.77 41.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.57 0.348 . . . . 0.0 110.353 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -145.98 170.61 16.28 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.054 0.942 . . . . 0.0 108.684 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.649 HD11 ' CE2' ' A' ' 58' ' ' PHE . 45.6 mt -133.29 -19.63 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.09 0 CA-C-O 120.854 0.359 . . . . 0.0 111.806 -173.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -173.51 0.08 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.197 0.999 . . . . 0.0 111.379 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.0 p -140.34 167.21 22.69 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.776 0.798 . . . . 0.0 112.692 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 7.09 4.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.432 1.493 . . . . 0.0 112.88 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -147.57 17.46 1.16 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.087 0.555 . . . . 0.0 111.259 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.38 -138.11 3.7 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -147.67 -68.37 0.24 Allowed 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 122.557 0.343 . . . . 0.0 110.115 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -150.86 158.39 44.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 121.135 0.493 . . . . 0.0 111.545 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.2 p -161.78 9.56 0.07 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.32 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.58 1.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 CA-C-O 119.415 -0.658 . . . . 0.0 113.869 -176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 62.05 -117.61 0.62 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.418 1.109 . . . . 0.0 112.238 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.23 -179.16 7.46 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -170.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.649 ' CE2' HD11 ' A' ' 46' ' ' ILE . 98.1 m-85 -139.56 168.57 19.52 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.792 1.237 . . . . 0.0 109.144 174.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -146.36 109.81 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -74.46 152.56 39.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.68 -176.56 4.08 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.53 -26.68 7.13 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.787 -1.007 . . . . 0.0 114.308 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.4 m -150.4 167.93 25.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.859 1.33 . . . . 0.0 112.138 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.4 tt0 -59.28 -31.46 69.13 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.891 0.476 . . . . 0.0 110.326 175.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.55 -26.31 66.24 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.444 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -77.08 -41.19 43.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.168 -0.332 . . . . 0.0 110.269 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.37 -40.27 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.06 -44.76 95.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 58.9 mtm -70.35 -26.26 63.65 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.93 -29.71 64.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.582 0.628 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.76 -16.27 55.9 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.308 0.643 . . . . 0.0 111.577 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.38 -8.13 30.41 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 25.96 4.56 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 118.489 0.586 . . . . 0.0 110.458 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -45.21 -17.2 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -140.85 21.85 2.3 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.71 1.595 . . . . 0.0 112.517 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.69 -168.2 0.17 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.679 0.752 . . . . 0.0 112.392 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.4 m -139.76 179.43 6.59 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.884 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.5 mtt -131.38 -31.07 1.65 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 123.934 0.894 . . . . 0.0 110.178 175.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 81' ' ' ARG . . . 139.29 139.77 3.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.7 m80 51.97 -1.27 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.37 1.468 . . . . 0.0 114.598 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.464 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 8.8 tpt180 -162.32 172.38 15.75 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.007 0.923 . . . . 0.0 109.325 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.464 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -134.81 167.05 21.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -172.502 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.468 HD11 HD21 ' A' ' 18' ' ' LEU . 3.4 mm -128.76 161.42 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.518 0.727 . . . . 0.0 110.093 -167.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.435 ' CG ' ' H21' ' B' ' 3' ' ' ' G' . 25.4 mm-40 -143.41 147.58 34.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.41 0.684 . . . . 0.0 110.449 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.66 154.25 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.364 0.665 . . . . 0.0 110.244 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -152.52 155.2 36.99 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.34 143.84 31.91 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 121.922 -0.486 . . . . 0.0 111.643 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.7 t -132.63 -177.39 4.46 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.916 -0.49 . . . . 0.0 111.818 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -146.09 6.4 1.01 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.543 0.737 . . . . 0.0 112.092 -174.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 81.14 -28.33 0.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.316 1.447 . . . . 0.0 113.006 171.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.5 m -69.64 -40.0 76.78 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.488 0.586 . . . . 0.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.06 -41.63 86.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.429 ' HG2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 tmm? -58.78 -45.96 88.64 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.377 0.423 . . . . 0.0 110.031 -177.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.83 -28.92 68.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -72.82 -56.23 5.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.42 -22.3 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 122.102 -0.374 . . . . 0.0 111.258 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.71 -5.1 14.4 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.213 0.461 . . . . 0.0 110.94 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -134.74 6.81 3.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.734 0.814 . . . . 0.0 112.338 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -143.8 14.14 1.72 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.831 0.453 . . . . 0.0 111.546 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.4 p -59.74 159.09 9.22 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.986 0.422 . . . . 0.0 111.398 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.79 177.13 43.67 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 C--O 1.252 1.175 0 C-N-CA 124.148 3.232 . . . . 0.0 111.164 179.44 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.576 " H1'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.42 -2.722 2 C5'-C4'-C3' 107.999 -5.0 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.486 " H1'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.228 3 O4'-C1'-N19 114.645 6.445 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.435 ' H21' ' CG ' ' A' ' 84' ' ' GLU . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 O4'-C1'-N19 111.607 3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.476 " H3'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.972 0 O4'-C1'-N19 111.694 3.494 . 0.389 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.476 ' C8 ' " H3'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.65 1 O4'-C1'-N19 112.975 4.775 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.945 0 N19-C1'-C2' 107.271 -3.83 . 0.012 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.271 0.081 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -145.74 -6.49 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.5 mt 45.63 23.84 0.17 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.371 1.468 . . . . 0.0 114.663 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.99 175.56 47.56 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.764 -0.585 . . . . 0.0 111.768 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.04 170.19 20.95 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.113 3.208 . . . . 0.0 111.186 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -145.38 170.5 16.21 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.117 0.967 . . . . 0.0 109.222 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.04 1.07 0.04 OUTLIER Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.659 -0.523 . . . . 0.0 113.231 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.75 -177.04 47.7 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 118.372 1.086 . . . . 0.0 112.153 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -155.13 -3.51 0.15 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.588 0.755 . . . . 0.0 111.805 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.67 -171.7 43.85 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 67.13 26.86 8.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.652 1.581 . . . . 0.0 107.882 -174.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.88 150.14 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.97 173.41 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 122.102 0.953 . . . . 0.0 110.703 173.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -123.08 139.92 53.57 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.473 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -124.21 144.38 49.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.992 0.517 . . . . 0.0 110.503 -169.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' NH2' ' H22' ' B' ' 2' ' ' ' G' . 0.0 OUTLIER -151.55 92.68 1.79 Allowed 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 165.77 35.72 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.294 -1.432 . . . . 0.0 113.808 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 17.2 mt 69.42 164.45 0.13 Allowed Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.737 1.615 . . . . 0.0 112.49 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 93.6 Cg_exo -47.87 -167.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 1 C-N-CA 126.71 4.94 . . . . 0.0 115.423 172.7 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.33 1.01 0.09 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 t -151.06 159.9 44.24 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.893 0.769 . . . . 0.0 111.151 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -158.91 171.37 20.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.148 0.979 . . . . 0.0 109.23 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -143.14 160.46 40.38 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.048 0.539 . . . . 0.0 110.303 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.44 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -68.6 -16.44 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.442 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.72 -26.58 29.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.884 0.311 . . . . 0.0 111.596 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.99 -39.27 30.4 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -67.3 -39.59 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -71.41 -26.08 62.61 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.282 0.947 . . . . 0.0 111.447 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -23.83 62.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.659 0.208 . . . . 0.0 110.739 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 54.2 t80 -88.51 -34.93 17.25 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -83.93 54.56 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -56.61 154.09 9.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.482 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 59.18 -7.98 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.479 1.912 . . . . 0.0 114.115 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.3 m -86.67 -176.4 5.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.732 0.697 . . . . 0.0 110.379 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.1 m -131.32 152.28 50.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' HG22 ' A' ' 36' ' ' ILE . 28.2 mt -122.27 32.52 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 121.56 0.695 . . . . 0.0 110.278 -165.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 t60 63.62 -41.77 0.22 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 113.98 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -151.61 -7.7 0.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.41 1.084 . . . . 0.0 111.75 172.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 96.56 -121.67 7.09 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 4.42 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.893 0.877 . . . . 0.0 112.384 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -122.85 19.34 10.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.352 1.061 . . . . 0.0 110.82 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.18 0.05 4.73 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.05 156.6 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 117.311 0.555 . . . . 0.0 109.559 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 88.7 m-70 -152.65 160.38 43.17 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.599 0.759 . . . . 0.0 109.301 173.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.03 170.14 16.49 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.18 0.592 . . . . 0.0 109.708 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.525 HD11 ' CE2' ' A' ' 58' ' ' PHE . 8.9 mt -135.95 59.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.124 0 CA-C-O 121.33 0.586 . . . . 0.0 111.359 -171.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.48 ' HB2' ' H ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -149.98 -173.16 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.764 -174.39 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 50.5 p -139.41 176.23 8.89 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-O 121.052 0.454 . . . . 0.0 111.002 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -57.52 -17.66 14.92 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.023 0.929 . . . . 0.0 112.897 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -144.78 35.33 1.14 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.04 0.536 . . . . 0.0 110.491 173.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.15 -44.56 2.57 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-O 119.339 -0.701 . . . . 0.0 112.418 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 81.33 11.61 0.79 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.633 1.573 . . . . 0.0 112.816 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.48 ' H ' ' HB2' ' A' ' 47' ' ' TYR . 4.0 mp0 -87.64 11.99 13.74 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.441 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 12.7 p -59.15 2.33 0.06 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.75 -1.33 73.91 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.42 137.19 54.45 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . -161.12 -178.49 6.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.437 0.637 . . . . 0.0 112.39 -169.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CE2' HD11 ' A' ' 46' ' ' ILE . 97.4 m-85 -137.33 162.99 32.07 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.146 0.978 . . . . 0.0 108.393 172.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -145.14 110.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.73 149.52 39.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 mt -125.17 -163.97 1.24 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.411 0.284 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -120.36 -20.62 3.56 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.99 -175.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -150.25 168.12 24.97 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 118.887 1.344 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -32.75 71.61 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.306 0.643 . . . . 0.0 109.912 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.78 -29.85 69.91 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.717 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.65 -36.99 57.03 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -70.74 -38.46 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.5 -47.43 84.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.404 0.547 . . . . 0.0 110.195 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.3 mtm -65.71 -28.99 69.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.28 -26.51 61.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.127 0.422 . . . . 0.0 111.632 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.1 mt -82.06 -14.57 55.67 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.314 0.646 . . . . 0.0 111.951 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -68.2 -1.14 5.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -130.38 22.78 5.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 123.305 0.642 . . . . 0.0 110.523 -178.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -48.2 -9.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 28.5 ptt-85 -162.29 21.66 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.227 1.376 . . . . 0.0 113.52 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -72.67 -164.24 0.15 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.321 0.51 . . . . 0.0 110.783 174.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.507 ' C ' ' H ' ' A' ' 79' ' ' GLY . 78.6 p -119.76 -0.14 10.78 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -163.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 50.3 ttm 64.11 -24.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.937 1.295 . . . . 0.0 112.002 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 136.92 -20.64 3.41 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.775 0.702 . . . . 0.0 111.886 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -149.14 3.27 0.59 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.632 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 9.9 tpt180 -147.58 -132.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.054 0.843 . . . . 0.0 110.697 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.632 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.6 t80 -159.51 123.56 3.83 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 6.1 mm -122.26 168.28 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -148.25 151.49 35.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -145.43 150.33 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.88 161.13 41.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 171.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -68.27 155.91 38.76 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t -135.53 -179.95 5.96 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -154.09 18.96 0.5 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.939 -0.476 . . . . 0.0 111.827 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.6 ttm105 70.23 -35.49 0.32 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.575 1.55 . . . . 0.0 113.595 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.9 m -64.28 -37.73 88.54 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 119.188 0.904 . . . . 0.0 110.133 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -70.13 -41.22 74.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.5 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 60.3 ttp -60.55 -47.58 85.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.49 -28.64 69.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.352 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -79.76 -21.62 44.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.43 -10.66 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 118.323 0.511 . . . . 0.0 111.993 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 99' ' ' HIS . 0.5 OUTLIER -62.14 -11.32 13.68 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.754 -0.591 . . . . 0.0 110.546 172.562 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -71.28 26.94 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.661 1.184 . . . . 0.0 111.384 174.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.45 ' H ' ' C ' ' A' ' 97' ' ' LEU . 22.4 m80 61.64 21.07 11.84 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.647 1.179 . . . . 0.0 112.016 -176.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.7 t 57.27 179.96 0.05 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.527 1.131 . . . . 0.0 112.729 -177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -176.62 -179.72 47.2 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--O 1.252 1.18 0 C-N-CA 124.93 3.753 . . . . 0.0 112.978 178.014 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.519 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 N19-C1'-C2' 119.52 3.825 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.561 ' H22' ' NH2' ' A' ' 16' ' ' ARG . . . . . . . . 0 O4'--C4' 1.41 -3.544 2 O4'-C1'-N19 113.322 5.122 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 1 O4'-C1'-N19 112.272 4.072 . 0.219 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 111.456 3.256 . 0.01 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.512 " H1'" ' C6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.699 1 C4'-C3'-C2' 98.663 -4.037 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.512 ' C6 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.698 1 C3'-C2'-C1' 97.8 -4.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.8 m-30 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 121.328 0.585 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.9 150.5 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 -177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.82 157.83 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 CA-C-O 121.301 0.572 . . . . 0.0 111.4 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.34 161.15 16.5 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.059 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.504 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -140.96 147.3 38.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' H ' HD13 ' A' ' 15' ' ' LEU . 35.6 ttm180 -154.13 147.24 24.65 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.62 -163.16 21.43 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.781 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 31.6 mt 66.62 174.29 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 124.807 1.243 . . . . 0.0 110.545 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 71.1 Cg_exo -51.61 177.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.902 3.068 . . . . 0.0 112.873 173.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -54.2 -18.17 3.58 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.009 -0.432 . . . . 0.0 112.068 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -147.62 160.15 42.98 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.592 0.757 . . . . 0.0 110.186 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 p -155.47 -174.27 4.9 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.086 0.954 . . . . 0.0 109.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.19 164.28 28.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.035 0.445 . . . . 0.0 110.786 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.441 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -65.33 -17.08 21.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 116.368 -0.378 . . . . 0.0 112.007 -175.016 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.78 -25.66 35.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 117.806 0.276 . . . . 0.0 111.276 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.43 -39.21 32.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.04 -39.37 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.876 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -71.14 -26.06 62.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.951 0.796 . . . . 0.0 111.135 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -26.28 63.91 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.59 0.177 . . . . 0.0 110.911 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -83.64 -27.86 28.82 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.67 52.2 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 8.83 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.828 1.651 . . . . 0.0 114.816 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -124.79 5.08 8.11 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.1 0.56 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.6 m -126.08 -177.0 3.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.452 0.701 . . . . 0.0 111.397 -170.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.7 m -130.96 142.4 50.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.4 mp -99.07 43.15 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.15 0.58 . . . . 0.0 109.684 -173.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 t60 63.1 -42.58 0.2 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.184 1.793 . . . . 0.0 113.978 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -148.58 -2.33 0.5 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.724 1.21 . . . . 0.0 110.843 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 98.29 -127.06 9.11 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 5.93 0.16 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.809 0.844 . . . . 0.0 112.201 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -119.07 16.74 13.3 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.402 1.081 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.55 3.08 2.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.61 160.08 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 117.493 0.646 . . . . 0.0 109.669 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -151.7 159.26 44.05 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.597 0.759 . . . . 0.0 109.575 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -149.23 169.95 19.59 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.603 0.761 . . . . 0.0 109.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 58' ' ' PHE . 9.0 mt . . . . . 0 C--O 1.231 0.105 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 46' ' ' ILE . 84.8 m-85 -139.2 165.98 25.74 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.1 t -143.7 110.74 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -72.14 151.89 42.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -131.42 -176.76 4.13 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.4 -33.09 6.06 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.193 -0.782 . . . . 0.0 113.904 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.5 m -151.83 171.26 18.02 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.329 1.064 . . . . 0.0 111.827 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 38.9 tt0 -60.06 -28.9 68.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.295 0.638 . . . . 0.0 110.79 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.78 -28.63 65.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.838 -0.539 . . . . 0.0 110.503 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.85 -37.09 56.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.258 -0.277 . . . . 0.0 110.618 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -39.44 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.46 -46.13 91.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.261 0.482 . . . . 0.0 110.389 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.1 mtm -68.22 -25.84 65.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.29 64.77 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.338 0.517 . . . . 0.0 110.942 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 mt -79.25 -16.34 56.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 111.914 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.96 -6.85 24.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.09 28.32 3.47 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-O 121.302 0.572 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -44.82 -14.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.2 mtp-105 -148.02 21.96 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.111 1.323 . . . . 0.0 112.402 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -71.1 -166.29 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.642 0.656 . . . . 0.0 112.528 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -146.04 153.45 40.75 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.627 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.2 mtt -77.33 -24.31 50.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.6 -16.91 3.76 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.663 -0.521 . . . . 0.0 112.878 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -139.22 -5.72 1.43 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.816 0.808 . . . . 0.0 111.471 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 81' ' ' ARG . 11.9 tpt180 -155.51 163.5 39.93 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.409 ' C ' HD12 ' A' ' 83' ' ' ILE 0.275 0.1 OUTLIER -114.57 163.83 14.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.653 0.661 . . . . 0.0 112.705 -174.284 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 84' ' ' GLU . 4.8 mp -136.16 166.36 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -169.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 83' ' ' ILE . 14.3 mt-10 -142.91 147.56 35.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.636 0.774 . . . . 0.0 110.008 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.27 153.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -156.98 155.96 32.17 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -75.05 153.05 38.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.81 0.338 . . . . 0.0 110.583 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -142.69 -175.69 4.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.11 0.481 . . . . 0.0 111.178 -177.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -146.87 9.6 1.01 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.521 0.728 . . . . 0.0 111.53 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 74.9 -25.43 0.2 Allowed 'General case' 0 C--N 1.339 0.144 0 C-N-CA 125.476 1.51 . . . . 0.0 113.873 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.2 m -68.79 -38.96 80.35 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 118.756 0.707 . . . . 0.0 109.743 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.85 -37.5 79.16 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -58.28 -46.69 85.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -69.0 -30.02 68.34 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.456 0.302 . . . . 0.0 111.676 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -68.88 -19.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 112.801 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.0 -20.81 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 118.427 0.558 . . . . 0.0 111.62 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.82 -6.49 27.22 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.637 0.653 . . . . 0.0 111.426 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.0 mttp . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 123.514 0.726 . . . . 0.0 112.029 -177.009 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.565 0.698 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.64 151.41 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -139.68 159.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.123 0.487 . . . . 0.0 110.822 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -89.66 161.4 16.13 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.86 131.21 35.02 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -138.9 163.19 32.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -173.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.85 -141.29 15.51 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 20' ' ' TRP . 12.5 mt 71.13 160.96 0.16 Allowed Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 124.134 0.973 . . . . 0.0 109.847 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.54 30.66 0.24 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.987 3.125 . . . . 0.0 110.945 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.441 ' H ' ' C ' ' A' ' 18' ' ' LEU . 6.3 m0 52.43 27.83 5.3 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.067 0.947 . . . . 0.0 111.848 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.5 t -148.83 128.97 13.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.4 t -165.12 174.01 10.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.543 0.337 . . . . 0.0 110.519 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.65 162.49 33.0 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.17 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -15.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -83.88 -26.19 29.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.835 0.289 . . . . 0.0 111.614 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.06 -34.35 32.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.7 -41.56 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.614 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -67.9 -25.92 65.73 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.786 0.721 . . . . 0.0 110.594 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -29.19 65.89 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.581 0.352 . . . . 0.0 111.478 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -82.87 -26.06 31.94 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -103.4 45.39 0.96 Allowed 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -59.71 -21.06 60.12 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.22 -20.49 32.21 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 119.029 0.831 . . . . 0.0 110.761 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.3 m -85.79 -177.3 6.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.211 1.004 . . . . 0.0 111.084 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 m -138.59 111.6 7.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp -69.36 140.45 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -46.56 -34.7 5.12 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.386 1.075 . . . . 0.0 113.611 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -152.28 9.61 0.49 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.244 0.617 . . . . 0.0 111.094 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.4 -119.98 5.69 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.0 2.48 0.52 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.066 0.946 . . . . 0.0 112.628 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.19 16.24 8.41 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.719 0.808 . . . . 0.0 110.862 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.98 -0.97 4.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.2 159.36 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -152.74 160.06 43.13 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.024 0.53 . . . . 0.0 110.091 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -148.28 172.43 14.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.136 0.974 . . . . 0.0 109.073 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 58' ' ' PHE . 42.5 mt . . . . . 0 CA--C 1.527 0.066 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.526 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.7 m-85 -140.9 168.12 20.55 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.421 0.689 . . . . 0.0 110.517 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.2 t -146.37 118.04 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.148 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -78.34 149.34 33.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -125.85 -172.98 2.73 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.258 0.481 . . . . 0.0 111.912 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.19 -26.11 8.51 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 119.132 -0.815 . . . . 0.0 113.935 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 t -159.85 174.09 14.97 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 118.695 1.248 . . . . 0.0 111.869 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 33.7 tt0 -59.72 -30.69 68.99 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.669 0.787 . . . . 0.0 110.547 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.81 -29.1 67.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.954 -0.466 . . . . 0.0 110.443 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -77.19 -37.01 54.45 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.506 -0.283 . . . . 0.0 110.636 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -69.34 -38.77 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.289 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.34 -47.0 87.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 118.269 0.486 . . . . 0.0 110.289 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.6 mtm -66.56 -28.9 68.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.39 -29.57 65.09 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.317 0.508 . . . . 0.0 110.975 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.6 mt -80.72 -14.35 58.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.181 0.592 . . . . 0.0 111.669 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.79 -8.45 43.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 28.21 3.65 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-O 121.272 0.558 . . . . 0.0 110.356 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -47.14 -10.47 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -155.35 28.02 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.88 1.218 . . . . 0.0 112.722 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.77 -160.53 0.09 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.652 0.739 . . . . 0.0 111.584 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -144.06 148.94 35.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 110.256 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.46 -12.9 61.63 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.87 -13.84 4.42 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -154.47 4.28 0.25 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.56 0.68 . . . . 0.0 112.753 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -150.2 140.49 22.25 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.053 0.842 . . . . 0.0 111.94 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.13 116.76 10.87 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.076 1.751 . . . . 0.0 110.221 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.4 mm -113.02 159.94 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -146.4 157.07 43.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.199 0.523 . . . . 0.0 111.611 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.83 148.26 19.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -148.63 152.77 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -70.85 149.17 47.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 122.036 -0.415 . . . . 0.0 111.09 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -144.25 178.78 7.66 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.387 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -148.06 13.12 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.232 0.613 . . . . 0.0 111.567 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 73.98 -25.83 0.19 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.558 1.543 . . . . 0.0 114.117 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -70.32 -38.92 75.03 Favored 'General case' 0 C--N 1.335 -0.039 0 CA-C-N 118.936 0.789 . . . . 0.0 109.622 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.9 -37.56 81.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.6 ttp -57.14 -47.63 80.66 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.01 -28.3 68.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.729 0.412 . . . . 0.0 111.769 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -73.4 -20.35 60.76 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.76 -17.81 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 118.229 0.468 . . . . 0.0 111.984 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -9.28 19.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.712 0.687 . . . . 0.0 111.469 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 C--N 1.34 0.157 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 177.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 9.9 m-85 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.966 0.412 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.429 HG21 ' CG ' ' A' ' 90' ' ' ARG . 90.9 t -133.59 153.33 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.18 157.88 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.356 0.598 . . . . 0.0 111.03 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.83 162.5 15.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.906 0.882 . . . . 0.0 108.662 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.25 138.08 33.0 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -145.96 164.09 33.12 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.25 -134.58 12.2 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.41 159.07 0.16 Allowed Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 124.162 0.985 . . . . 0.0 110.773 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.21 -179.17 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 124.059 3.173 . . . . 0.0 112.21 171.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -8.94 2.21 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.154 -0.341 . . . . 0.0 111.664 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -152.72 159.16 43.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.474 0.71 . . . . 0.0 110.519 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 t -163.3 -178.77 6.14 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.802 0.441 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -146.93 168.15 22.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.229 0.538 . . . . 0.0 111.228 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.417 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -67.11 -15.1 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.062 -175.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -84.51 -27.13 27.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.905 0.32 . . . . 0.0 111.45 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -80.77 -34.91 33.85 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.006 0.366 . . . . 0.0 110.019 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.35 -41.69 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.71 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.91 -24.59 63.41 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.941 0.791 . . . . 0.0 110.998 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -26.77 63.83 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 122.153 0.181 . . . . 0.0 110.931 174.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.06 -35.94 17.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.48 67.99 7.64 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -53.66 150.64 6.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.867 0.867 . . . . 0.0 111.655 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.47 -3.39 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.447 1.899 . . . . 0.0 114.516 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.2 m -91.42 -176.53 4.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.681 0.673 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.2 m -137.11 152.23 49.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.3 mp -110.0 41.97 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 CA-C-O 121.378 0.608 . . . . 0.0 109.566 -174.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.5 t60 61.14 -27.34 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.199 1.799 . . . . 0.0 114.581 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' ILE . 24.3 m-20 -157.8 -27.23 0.08 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.37 1.468 . . . . 0.0 110.597 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.54 128.69 0.41 Allowed Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -174.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.99 10.8 0.12 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.886 0.874 . . . . 0.0 112.811 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.13 16.99 1.91 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.326 1.05 . . . . 0.0 111.206 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 5.03 2.05 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.01 160.19 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 117.495 0.647 . . . . 0.0 109.724 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.428 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 71.3 m-70 -152.35 160.25 43.34 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.763 0.825 . . . . 0.0 109.114 172.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -146.27 169.48 18.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.437 0.695 . . . . 0.0 109.51 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 58' ' ' PHE . 6.3 mt . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 121.412 0.625 . . . . 0.0 112.457 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CE2' HD11 ' A' ' 46' ' ' ILE . 99.9 m-85 -136.85 162.45 33.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.006 0.923 . . . . 0.0 108.936 172.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -144.0 104.86 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.18 152.84 43.82 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.8 -174.2 3.24 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.1 -22.62 9.11 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 119.117 -0.824 . . . . 0.0 114.044 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 t -160.3 173.36 15.8 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.849 1.325 . . . . 0.0 111.994 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.2 tt0 -59.32 -29.19 67.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.918 0.887 . . . . 0.0 110.524 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.06 -30.0 66.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.959 -0.463 . . . . 0.0 110.533 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -75.86 -36.74 59.48 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.243 -0.285 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.6 -38.03 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.77 -46.65 87.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.268 0.485 . . . . 0.0 110.346 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 51.5 mtm -66.48 -27.19 67.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.3 -30.15 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.087 0.403 . . . . 0.0 111.043 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.7 mt -79.36 -14.48 58.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.084 0.554 . . . . 0.0 111.719 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -68.32 -7.46 31.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 27.68 3.98 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.362 0.528 . . . . 0.0 110.465 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.41 -11.96 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -150.8 23.93 0.77 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.246 1.384 . . . . 0.0 112.286 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -69.39 -164.53 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.583 -0.698 . . . . 0.0 112.161 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -142.71 178.91 7.31 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.388 0.675 . . . . 0.0 111.83 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 56.7 mtt -117.87 -12.63 10.15 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.133 0.573 . . . . 0.0 111.71 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.19 -21.67 4.57 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-O 119.724 -0.487 . . . . 0.0 112.861 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -142.18 -2.61 1.13 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.635 0.717 . . . . 0.0 111.64 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 12.5 tpt180 -155.95 166.65 32.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.275 1.5 p90 -115.39 162.88 16.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.74 0.781 . . . . 0.0 112.538 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 mm -130.55 165.61 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -169.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -147.31 151.17 36.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 110.527 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.61 147.01 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -148.52 157.38 43.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.1 151.53 26.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.753 -0.592 . . . . 0.0 111.245 -173.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -141.26 -179.98 6.43 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.575 0.35 . . . . 0.0 111.677 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -152.29 17.17 0.64 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.342 0.657 . . . . 0.0 112.512 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' CG ' HG21 ' A' ' 12' ' ' VAL . 67.7 mtt85 74.3 -32.66 0.23 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.085 1.754 . . . . 0.0 113.939 174.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 37.1 m -62.64 -39.35 93.58 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 119.003 0.82 . . . . 0.0 110.239 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.01 -39.88 72.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.5 ttp -62.22 -40.97 97.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.535 0.334 . . . . 0.0 110.632 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.64 -28.37 66.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.361 0.265 . . . . 0.0 111.71 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -78.06 -63.74 1.32 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.14 -21.22 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -172.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.63 -12.69 35.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.408 0.549 . . . . 0.0 111.526 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.325 0.65 . . . . 0.0 112.601 -176.56 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.1 m-85 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.044 0.45 . . . . 0.0 109.86 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.42 152.53 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.67 171.71 14.7 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -110.2 162.97 14.08 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 123.278 0.631 . . . . 0.0 109.362 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 138.43 37.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -148.02 148.48 30.76 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 124.974 1.31 . . . . 0.0 107.589 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.7 -177.25 22.59 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.336 -0.459 . . . . 0.0 112.381 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 83' ' ' ILE . 36.9 mt 59.08 154.69 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 125.17 1.388 . . . . 0.0 114.039 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.56 86.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 1 C-N-CA 125.835 4.357 . . . . 0.0 114.22 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 50.79 4.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 176.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -155.46 159.61 39.95 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 121.148 1.795 . . . . 0.0 113.223 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -161.22 171.97 17.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.99 1.316 . . . . 0.0 108.749 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -142.85 166.83 23.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.0 0.52 . . . . 0.0 110.324 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.77 -21.09 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.62 -24.9 33.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 119.691 -0.195 . . . . 0.0 111.152 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -83.79 -38.51 21.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.17 -35.2 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 119.799 -0.143 . . . . 0.0 110.776 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.12 -26.17 56.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.093 0.406 . . . . 0.0 110.326 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -15.99 62.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.235 0.614 . . . . 0.0 111.49 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -108.13 -26.93 10.38 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 7.8 mp -87.27 50.63 2.05 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 173.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.5 m -64.72 9.72 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.466 1.506 . . . . 0.0 113.883 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -134.89 6.28 3.4 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.276 0.63 . . . . 0.0 110.1 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 59.2 m -131.55 177.42 7.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.958 0.903 . . . . 0.0 110.981 -169.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.4 m -131.69 149.88 52.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 36' ' ' ILE . 24.6 mt -116.98 41.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.81 0.814 . . . . 0.0 109.481 -166.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.5 t60 60.62 -19.93 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.914 1.685 . . . . 0.0 113.896 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.6 m-20 -155.24 -36.97 0.09 Allowed 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 125.414 1.486 . . . . 0.0 109.472 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.9 -39.45 2.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 124.166 0.889 . . . . 0.0 111.473 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.69 11.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 110.422 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -127.77 16.63 6.9 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.225 0.61 . . . . 0.0 111.099 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.1 5.08 6.86 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.33 160.31 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 123.236 0.615 . . . . 0.0 109.913 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -151.84 161.62 42.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.725 0.81 . . . . 0.0 109.186 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -146.34 167.97 22.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.449 HD11 ' CE2' ' A' ' 58' ' ' PHE . 9.4 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.095 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.413 0.625 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CE2' HD11 ' A' ' 46' ' ' ILE . 99.6 m-85 -132.18 162.77 30.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.16 0.984 . . . . 0.0 108.7 171.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.5 t -143.64 109.0 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.37 149.1 42.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -127.19 -171.38 2.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.734 0.302 . . . . 0.0 110.52 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.77 -32.19 5.16 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.223 -0.765 . . . . 0.0 113.499 -175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -152.42 170.51 19.94 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.284 1.042 . . . . 0.0 111.734 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.446 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.3 tt0 -59.03 -30.13 67.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.255 0.622 . . . . 0.0 110.557 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.5 -27.11 65.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.965 -0.459 . . . . 0.0 110.79 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.96 -38.03 38.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 122.025 -0.422 . . . . 0.0 110.575 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.77 -41.54 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.6 -45.84 92.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 117.919 0.327 . . . . 0.0 110.496 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.4 mtm -71.37 -27.34 63.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.96 68.61 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.607 0.639 . . . . 0.0 110.209 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.4 mt -78.81 -17.93 54.9 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.846 0.458 . . . . 0.0 111.231 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.3 -7.92 41.48 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 22.63 5.69 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.845 0.748 . . . . 0.0 111.273 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -48.44 -0.46 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -151.65 11.84 0.6 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.272 1.396 . . . . 0.0 111.83 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.99 -163.5 0.11 Allowed 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.702 0.763 . . . . 0.0 112.302 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.3 t -142.11 150.2 40.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.881 0.872 . . . . 0.0 110.071 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.7 mtt -74.79 -9.73 58.83 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.568 0.347 . . . . 0.0 110.497 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.53 -14.0 5.86 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -143.92 -9.01 0.7 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -158.07 145.66 18.32 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 118.925 0.784 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.15 139.06 50.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.383 1.873 . . . . 0.0 111.875 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.461 HD11 HD21 ' A' ' 18' ' ' LEU . 21.8 mm -128.46 165.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 125.263 1.425 . . . . 0.0 108.039 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 83' ' ' ILE . 12.5 mt-10 -143.8 153.41 42.36 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.731 0.301 . . . . 0.0 110.669 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 t -141.98 136.45 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -133.36 151.33 51.84 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -173.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -78.1 144.54 36.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.639 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -140.54 -179.2 5.89 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.737 0.415 . . . . 0.0 110.799 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -149.29 12.09 0.82 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.525 0.73 . . . . 0.0 111.52 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 76.48 -29.42 0.18 Allowed 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.658 1.583 . . . . 0.0 113.417 172.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.8 m -66.63 -38.75 87.56 Favored 'General case' 0 N--CA 1.459 0.023 0 CA-C-N 118.73 0.695 . . . . 0.0 110.124 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.73 -41.15 79.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -59.56 -45.08 92.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -29.97 70.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.478 0.311 . . . . 0.0 111.709 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -73.07 -57.59 3.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.32 -26.07 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.25 -7.43 42.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.785 0.721 . . . . 0.0 111.118 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 C--N 1.34 0.177 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -173.482 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 4.7 m-30 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 121.326 0.584 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -132.08 149.14 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.87 159.15 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-O 121.381 0.61 . . . . 0.0 111.982 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -91.2 158.35 16.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.774 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.79 124.42 16.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -134.59 162.43 32.3 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 -147.57 16.29 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.943 -0.365 . . . . 0.0 112.27 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER 38.82 95.31 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 126.655 1.982 . . . . 0.0 114.555 177.464 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 20' ' ' TRP . 60.9 Cg_endo -69.7 111.38 2.78 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.739 2.959 . . . . 0.0 110.067 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 70.3 m95 -137.6 2.93 2.49 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 126.02 1.728 . . . . 0.0 110.672 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -158.61 165.63 34.01 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.073 0.549 . . . . 0.0 110.395 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.13 -173.19 4.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.891 0.876 . . . . 0.0 109.548 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -109.85 164.09 12.91 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -17.77 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.082 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -79.21 -24.94 42.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.669 0.388 . . . . 0.0 111.455 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.19 -38.72 26.59 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.37 -36.56 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.55 -26.36 61.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.46 0.573 . . . . 0.0 110.619 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -28.98 65.3 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.462 0.305 . . . . 0.0 110.992 176.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -85.46 -30.74 23.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.52 66.66 8.22 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 p -49.99 145.46 5.65 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.44 0.696 . . . . 0.0 111.477 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 56.58 -5.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.42 1.888 . . . . 0.0 114.893 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.7 176.25 8.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 119.306 0.957 . . . . 0.0 110.368 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -139.74 111.47 7.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' ' 36' ' ' ILE . 4.8 mp -72.76 145.08 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -51.16 -20.84 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -146.62 -15.16 0.43 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.463 0.574 . . . . 0.0 112.533 175.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.64 0.15 87.99 Favored Glycine 0 C--N 1.338 0.663 0 CA-C-N 118.494 0.588 . . . . 0.0 113.604 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 41' ' ' ALA . . . -179.9 0.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.971 1.308 . . . . 0.0 111.096 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 40' ' ' ALA . . . -133.81 12.73 4.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.447 0.299 . . . . 0.0 111.559 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.57 0.67 18.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.78 158.7 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -151.97 162.96 40.25 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.282 0.633 . . . . 0.0 109.315 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.92 168.63 23.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.674 0.789 . . . . 0.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.511 HD11 ' CE2' ' A' ' 58' ' ' PHE . 15.7 mt . . . . . 0 C--O 1.231 0.111 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.467 0.175 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 46' ' ' ILE . 74.5 m-85 -139.54 167.7 21.49 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.058 0.543 . . . . 0.0 110.426 175.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 52.2 t -146.79 124.74 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.543 0.737 . . . . 0.0 109.332 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -84.97 150.01 25.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.51 -173.97 3.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.927 0.394 . . . . 0.0 111.189 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.38 -34.06 5.18 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.19 -0.784 . . . . 0.0 113.638 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.1 m -151.42 170.93 18.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 118.314 1.057 . . . . 0.0 111.918 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.5 tt0 -59.62 -29.63 68.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.193 0.597 . . . . 0.0 110.875 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.16 -26.34 64.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.911 -0.493 . . . . 0.0 110.648 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -80.21 -36.67 34.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.371 -0.206 . . . . 0.0 110.667 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -38.85 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.13 -45.99 92.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.173 0.442 . . . . 0.0 110.35 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.9 mtm -67.83 -27.18 66.49 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.52 65.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.432 0.56 . . . . 0.0 110.859 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.4 mt -80.31 -12.97 59.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.204 0.602 . . . . 0.0 111.6 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.41 -5.5 28.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.87 25.36 4.31 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 118.521 0.601 . . . . 0.0 110.409 178.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -46.92 -10.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -152.67 29.31 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.286 1.403 . . . . 0.0 111.923 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.3 -166.44 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.002 -0.437 . . . . 0.0 111.026 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 79' ' ' GLY . 50.2 m -138.69 5.76 2.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.7 mtt 52.04 3.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.011 0.823 . . . . 0.0 112.625 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 109.25 -16.18 32.52 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.025 -0.875 . . . . 0.0 113.201 177.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -149.26 5.69 0.65 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.843 1.322 . . . . 0.0 114.367 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.606 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 7.4 tpt180 -143.6 -129.22 0.09 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.373 0.988 . . . . 0.0 111.542 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.606 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -165.29 121.38 1.39 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -123.84 169.77 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -147.9 145.47 28.65 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -143.85 125.5 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -133.13 153.63 51.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.65 155.03 40.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -142.03 -178.25 5.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.075 0.464 . . . . 0.0 110.908 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -145.05 9.34 1.27 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.556 0.743 . . . . 0.0 111.285 -176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 76.71 -24.48 0.22 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.378 1.471 . . . . 0.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -70.59 -40.24 73.37 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.482 0.583 . . . . 0.0 109.706 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -36.62 80.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.2 ttp -58.18 -48.28 80.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.17 -30.59 69.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.638 0.375 . . . . 0.0 111.332 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -67.47 -20.46 65.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.468 0.707 . . . . 0.0 112.773 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.11 -20.09 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.317 0.508 . . . . 0.0 111.539 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.23 -7.22 28.62 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.731 0.696 . . . . 0.0 111.16 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 123.962 0.905 . . . . 0.0 111.959 -178.563 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.9 m-30 . . . . . 0 N--CA 1.457 -0.118 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.18 149.79 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.33 158.41 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 121.377 0.608 . . . . 0.0 111.133 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -90.35 156.47 18.23 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -141.67 144.24 34.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 mtp-105 -149.47 162.4 40.2 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.27 -165.66 12.28 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.486 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 83' ' ' ILE . 58.5 mt 62.08 173.17 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.324 0 C-N-CA 124.053 0.941 . . . . 0.0 111.44 -178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 97.3 Cg_exo -46.62 173.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 124.418 3.412 . . . . 0.0 113.764 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -58.99 -1.9 0.2 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -148.27 166.12 28.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.387 1.075 . . . . 0.0 109.87 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -156.92 176.76 12.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.65 0.38 . . . . 0.0 110.543 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -141.94 158.75 43.41 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.422 0.689 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' HA ' HG22 ' A' ' 27' ' ' VAL . 1.8 m -68.22 -19.36 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.326 0.651 . . . . 0.0 112.654 -173.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.83 -26.04 37.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.377 0.535 . . . . 0.0 111.448 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -80.92 -39.12 26.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 24' ' ' VAL . 27.7 m -67.19 -32.97 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.49 -25.83 38.56 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.696 0.68 . . . . 0.0 111.242 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -25.56 64.83 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.698 0.226 . . . . 0.0 110.84 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.472 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 36.3 t80 -88.55 -31.76 18.49 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.88 0.472 . . . . 0.0 111.885 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -90.98 61.97 4.78 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -54.57 152.14 7.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.373 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.49 -5.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.076 1.75 . . . . 0.0 114.383 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -85.44 -175.71 5.79 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.096 0.862 . . . . 0.0 110.431 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 m -137.45 150.63 47.74 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.452 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.2 mp -112.88 42.07 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-O 121.326 0.584 . . . . 0.0 109.627 -173.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.9 t60 63.12 -42.91 0.2 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.222 1.809 . . . . 0.0 114.121 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -148.89 -2.07 0.48 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.899 1.28 . . . . 0.0 110.767 171.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 99.89 -128.49 9.59 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.219 -1.553 . . . . 0.0 109.219 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.2 5.81 0.14 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.684 0.794 . . . . 0.0 112.164 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -117.53 16.47 14.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.291 1.036 . . . . 0.0 111.144 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.4 2.1 2.5 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.0 p -74.51 163.3 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 117.582 0.691 . . . . 0.0 109.552 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -150.67 152.57 34.16 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.769 0.427 . . . . 0.0 110.307 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.96 161.09 43.4 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.378 1.071 . . . . 0.0 108.673 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.816 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -145.86 169.41 18.62 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.456 1.102 . . . . 0.0 109.207 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -145.26 108.69 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -70.99 152.42 43.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -130.91 -170.89 2.44 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -112.02 -26.1 4.51 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.915 -0.936 . . . . 0.0 113.808 -174.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.8 m -150.12 167.86 25.62 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 118.564 1.182 . . . . 0.0 111.632 -177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.7 tt0 -59.98 -30.29 69.02 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.019 0.527 . . . . 0.0 110.555 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.55 -25.68 64.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.723 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -38.57 47.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.235 -0.291 . . . . 0.0 110.33 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -68.73 -38.73 79.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -59.59 -48.48 81.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.868 0.304 . . . . 0.0 110.192 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.3 mtm -66.67 -29.54 69.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.06 -28.48 63.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.389 0.541 . . . . 0.0 111.442 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.4 mt -80.09 -15.2 57.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.757 0.423 . . . . 0.0 111.716 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -67.04 -5.88 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.472 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.51 24.59 4.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 118.533 0.606 . . . . 0.0 110.54 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.44 -19.87 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -149.96 6.43 0.6 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.306 1.412 . . . . 0.0 112.096 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -80.98 -167.35 1.38 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.229 0.468 . . . . 0.0 111.062 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.2 m -128.55 156.66 42.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.759 -169.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.5 mtt -67.15 -19.91 65.67 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.837 0.455 . . . . 0.0 110.642 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.23 -8.32 5.37 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -148.05 -11.2 0.38 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -152.59 146.75 25.45 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.937 0.789 . . . . 0.0 111.845 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.77 132.03 43.08 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.841 2.056 . . . . 0.0 111.098 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.593 ' CD1' HD21 ' A' ' 18' ' ' LEU . 3.7 mm -124.28 170.14 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.504 ' H ' HG22 ' A' ' 83' ' ' ILE . 11.5 mt-10 -145.16 148.07 33.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.197 0.199 . . . . 0.0 110.596 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.76 153.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 C-N-CA 123.63 0.772 . . . . 0.0 108.976 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -158.83 152.65 23.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -71.72 149.84 45.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 t -139.46 -178.63 5.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.241 0.543 . . . . 0.0 111.316 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -145.63 8.83 1.16 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.855 0.862 . . . . 0.0 111.198 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 77.58 -25.28 0.2 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.403 1.481 . . . . 0.0 113.567 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.3 m -69.17 -39.48 78.72 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 118.703 0.683 . . . . 0.0 110.04 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -68.14 -40.82 82.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -59.56 -46.62 88.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -65.04 -31.59 72.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.533 0.333 . . . . 0.0 111.751 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -70.04 -49.89 46.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.405 ' H ' HG12 ' A' ' 96' ' ' VAL . 5.8 p -80.64 -18.23 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 117.92 0.327 . . . . 0.0 111.256 -176.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.61 -3.38 27.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.564 -0.71 . . . . 0.0 110.833 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 123.611 0.765 . . . . 0.0 112.145 -177.682 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 121.509 0.671 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.0 t -129.61 153.91 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.89 155.71 27.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.404 0.621 . . . . 0.0 111.061 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -88.56 161.24 17.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.907 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 142.86 38.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -144.25 160.33 41.16 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.97 -157.95 19.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 87.76 159.29 0.09 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.896 1.678 . . . . 0.0 111.924 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.88 40.44 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.705 1 C-N-CA 128.05 5.833 . . . . 0.0 117.081 173.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.9 m95 61.65 9.68 2.93 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.386 1.075 . . . . 0.0 113.004 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -159.47 159.05 33.08 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.318 0.647 . . . . 0.0 109.678 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 t -165.29 174.17 10.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.021 0.528 . . . . 0.0 110.371 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.6 m -143.29 159.79 41.69 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.048 0.939 . . . . 0.0 108.636 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.436 HG13 ' H ' ' A' ' 24' ' ' VAL . 1.7 m -64.92 -21.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.6 -25.81 35.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.067 0.394 . . . . 0.0 111.541 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -81.87 -33.53 30.53 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.153 0.433 . . . . 0.0 110.476 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -72.62 -38.79 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.407 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -75.49 -20.52 58.72 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.638 0.654 . . . . 0.0 111.012 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -29.91 67.61 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.243 -0.286 . . . . 0.0 110.522 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -85.72 -19.97 30.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.574 0.35 . . . . 0.0 111.364 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.46 61.89 1.05 Allowed 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.907 0.883 . . . . 0.0 108.89 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 m -53.02 146.3 11.38 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.926 0.491 . . . . 0.0 110.838 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 60.02 -6.03 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.026 1.73 . . . . 0.0 114.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -77.54 -176.97 4.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 119.067 0.849 . . . . 0.0 110.306 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -134.66 155.03 51.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.516 ' C ' ' H ' ' A' ' 38' ' ' ASP . 16.6 mm -114.38 29.37 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.116 0.567 . . . . 0.0 110.088 -170.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.9 t60 59.44 -18.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.148 1.379 . . . . 0.0 113.651 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' ILE . 26.7 m-20 -153.43 -28.39 0.14 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.863 1.265 . . . . 0.0 110.997 177.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.55 -6.78 33.81 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 122.989 0.328 . . . . 0.0 113.356 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -177.65 4.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 125.236 1.414 . . . . 0.0 110.806 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -127.51 17.61 6.96 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -175.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.53 2.18 11.22 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.37 156.8 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.772 0.829 . . . . 0.0 110.199 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -153.57 162.61 41.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.944 0.898 . . . . 0.0 108.901 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -147.98 165.62 30.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.581 0.752 . . . . 0.0 109.2 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 58' ' ' PHE . 21.6 mt . . . . . 0 CA--C 1.527 0.076 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 46' ' ' ILE . 93.3 m-85 -141.6 162.99 34.13 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.028 0.442 . . . . 0.0 110.665 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -145.96 115.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.569 0.748 . . . . 0.0 109.185 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.16 149.06 35.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 mt -126.03 -172.82 2.7 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.726 0.298 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.19 -23.02 8.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.905 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 t -158.87 173.54 16.36 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 118.69 1.245 . . . . 0.0 111.903 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 35.6 tt0 -59.39 -29.99 68.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.888 0.875 . . . . 0.0 110.522 175.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.15 -30.3 68.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.99 -0.444 . . . . 0.0 110.613 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -75.83 -37.77 58.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.323 -0.236 . . . . 0.0 110.58 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.3 p -70.39 -38.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.52 -47.94 83.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.214 0.461 . . . . 0.0 110.05 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.2 mtm -63.69 -27.91 69.54 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -75.46 -29.04 59.51 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.145 -0.347 . . . . 0.0 111.569 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.9 mt -79.86 -12.54 59.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.667 0.387 . . . . 0.0 111.797 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.73 -10.7 59.35 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -132.44 32.54 3.91 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 118.614 0.643 . . . . 0.0 110.688 -179.467 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -52.15 -7.4 0.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 -173.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -158.96 28.48 0.21 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 120.081 1.31 . . . . 0.0 112.414 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.03 -156.42 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.394 0.616 . . . . 0.0 111.315 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.423 ' HA ' HG12 ' A' ' 83' ' ' ILE . 34.3 t -139.73 141.34 36.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.779 0.832 . . . . 0.0 110.225 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 52.3 mtt -71.01 -12.94 61.81 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.38 -7.43 5.95 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -151.86 -7.64 0.22 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -153.95 155.57 35.86 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.434 1.015 . . . . 0.0 112.276 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.11 131.19 44.97 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.595 1.958 . . . . 0.0 109.672 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 77' ' ' SER . 4.2 mm -122.11 167.23 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -150.08 150.68 32.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -147.41 119.71 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -127.92 158.88 36.6 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -77.1 151.39 35.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.951 -0.468 . . . . 0.0 110.796 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 t -142.88 179.37 7.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 111.678 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -147.68 -10.67 0.4 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 103.41 -27.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.675 2.39 . . . . 0.0 111.858 173.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -66.97 -41.19 87.28 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.281 0.491 . . . . 0.0 110.322 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.72 -35.83 70.31 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 61.1 ttp -63.43 -38.71 92.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.44 0.296 . . . . 0.0 110.359 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.67 -27.28 62.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.132 -0.355 . . . . 0.0 111.473 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -78.38 -63.32 1.43 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.92 -18.45 21.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 122.165 -0.334 . . . . 0.0 111.805 -173.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.77 -8.44 21.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.439 0.563 . . . . 0.0 110.832 173.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.2 mttt . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 123.963 0.905 . . . . 0.0 111.93 -177.262 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.274 0.559 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -125.41 149.99 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.73 156.24 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-O 121.095 0.474 . . . . 0.0 110.812 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -86.55 159.76 19.16 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -142.34 142.71 32.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' N ' HD13 ' A' ' 15' ' ' LEU . 66.0 mtt180 -148.76 152.4 36.5 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.17 170.58 20.25 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.436 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.449 HD21 HD11 ' A' ' 83' ' ' ILE . 14.3 mt 61.76 156.55 0.11 Allowed Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 125.27 1.428 . . . . 0.0 112.635 178.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.9 72.6 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 124.401 3.401 . . . . 0.0 111.776 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 48.35 35.06 5.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.424 1.09 . . . . 0.0 113.446 177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -147.37 132.69 18.5 Favored 'General case' 0 CA--C 1.527 0.077 0 O-C-N 122.032 -0.417 . . . . 0.0 110.193 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.9 t -166.76 171.15 11.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.371 0.668 . . . . 0.0 109.717 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -145.34 170.44 16.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.198 0.599 . . . . 0.0 109.927 174.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.55 -17.78 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.429 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.21 -26.98 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 117.727 0.24 . . . . 0.0 111.08 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -77.75 -36.39 50.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.81 -39.88 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.959 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -70.66 -23.77 62.57 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.774 0.716 . . . . 0.0 110.821 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.22 64.09 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.42 0.288 . . . . 0.0 111.14 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -85.24 -31.25 23.25 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -95.85 52.23 1.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.1 p -62.32 9.02 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.709 1.604 . . . . 0.0 114.808 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -126.07 7.19 7.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.079 0.552 . . . . 0.0 110.537 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -128.16 -177.11 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.38 0.672 . . . . 0.0 111.283 -170.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.0 m -133.31 134.64 44.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.4 mp -89.16 41.49 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.001 0.92 . . . . 0.0 110.081 -174.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.8 t60 62.96 -39.66 0.17 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.993 1.717 . . . . 0.0 114.025 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -149.49 -8.71 0.32 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.817 1.247 . . . . 0.0 111.321 172.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 104.8 -127.58 9.12 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -176.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.88 4.0 0.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.664 0.786 . . . . 0.0 112.013 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -115.14 17.05 16.9 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.376 1.071 . . . . 0.0 111.095 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.03 3.18 2.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.88 157.46 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 117.565 0.682 . . . . 0.0 109.919 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -152.86 162.85 40.77 Favored 'General case' 0 N--CA 1.458 -0.062 0 C-N-CA 123.562 0.745 . . . . 0.0 109.554 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -145.66 171.44 14.72 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.725 0.81 . . . . 0.0 109.363 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.664 HD11 ' CE2' ' A' ' 58' ' ' PHE . 10.3 mt . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.481 0.658 . . . . 0.0 110.968 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 121.14 0.495 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.664 ' CE2' HD11 ' A' ' 46' ' ' ILE . 97.5 m-85 -136.98 163.43 30.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.321 1.048 . . . . 0.0 108.883 173.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG13 HG23 ' A' ' 36' ' ' ILE . 47.9 t -145.05 108.41 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.53 149.54 42.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 mt -128.29 -177.08 4.01 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.052 0.453 . . . . 0.0 111.456 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.8 -35.45 6.43 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 119.186 -0.785 . . . . 0.0 113.688 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -152.19 172.64 16.06 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 118.303 1.052 . . . . 0.0 111.782 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 32.4 tt0 -59.01 -31.64 69.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.002 0.521 . . . . 0.0 110.778 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.88 -28.26 68.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.871 -0.518 . . . . 0.0 110.754 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -77.59 -39.69 44.74 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.348 -0.22 . . . . 0.0 110.633 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.1 p -68.64 -40.18 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -61.34 -44.88 96.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.2 mtm -70.66 -26.46 63.46 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.69 67.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.407 0.549 . . . . 0.0 110.653 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.3 mt -76.86 -18.58 58.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.085 0.554 . . . . 0.0 111.705 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.64 -7.88 17.49 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 26.88 3.84 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.426 0.631 . . . . 0.0 110.716 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -47.2 -6.63 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -155.81 27.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 120.229 1.377 . . . . 0.0 112.733 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -73.41 -157.55 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.597 0.713 . . . . 0.0 111.805 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -145.25 151.88 39.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.93 0.892 . . . . 0.0 110.057 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.8 mtt -72.54 -11.92 60.86 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.422 0.289 . . . . 0.0 110.373 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.6 -11.87 5.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -145.27 -8.47 0.59 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -158.01 146.47 18.99 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.159 0.891 . . . . 0.0 112.092 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.28 128.77 37.65 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 127.156 2.183 . . . . 0.0 111.466 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.449 HD11 HD21 ' A' ' 18' ' ' LEU . 23.8 mm -124.32 162.98 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.436 ' N ' HG22 ' A' ' 83' ' ' ILE . 23.8 mt-10 -147.13 158.62 44.0 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.05 0.453 . . . . 0.0 111.777 -179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.24 155.07 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -156.01 155.0 31.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -76.88 151.26 35.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 121.845 -0.535 . . . . 0.0 111.066 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -145.6 179.39 7.46 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.637 0.375 . . . . 0.0 110.837 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -147.68 12.66 1.02 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.117 0.567 . . . . 0.0 111.858 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 75.43 -26.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.232 1.413 . . . . 0.0 113.584 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.2 m -69.56 -39.38 77.44 Favored 'General case' 0 N--CA 1.458 -0.05 0 CA-C-N 118.775 0.716 . . . . 0.0 109.758 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.15 -36.24 79.36 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.467 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.4 ttp -57.75 -47.99 80.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.33 -29.66 68.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 111.268 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -71.28 -20.39 62.22 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -122.79 -13.06 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 118.163 0.438 . . . . 0.0 111.566 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.94 -2.3 14.73 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.608 0.64 . . . . 0.0 110.262 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.456 -0.156 0 C-N-CA 124.465 1.106 . . . . 0.0 111.069 -178.066 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 121.232 0.539 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -133.74 151.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.6 160.16 27.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.231 0.539 . . . . 0.0 111.065 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -90.58 164.47 14.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.403 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -143.06 139.66 30.61 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.025 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' N ' HD13 ' A' ' 15' ' ' LEU . 97.1 mtt180 -144.82 150.81 37.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.98 -157.83 22.39 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.756 172.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 18' ' ' LEU . 2.1 mm? 61.33 150.63 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 125.909 1.684 . . . . 0.0 111.941 -175.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -41.79 -53.32 3.43 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.746 3.631 . . . . 0.0 113.921 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -159.29 -8.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.401 0.681 . . . . 0.0 111.414 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -156.07 169.03 25.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.316 0.507 . . . . 0.0 110.687 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 t -156.11 177.42 11.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.799 0.839 . . . . 0.0 109.001 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -137.42 160.29 39.51 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 122.992 0.517 . . . . 0.0 109.609 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.04 -19.17 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.44 -26.31 26.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.968 0.349 . . . . 0.0 111.456 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -81.67 -35.77 29.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -69.36 -40.17 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.055 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -71.1 -23.75 62.16 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.835 0.743 . . . . 0.0 111.113 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -25.22 63.3 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.251 0.22 . . . . 0.0 111.132 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -89.29 -34.43 16.59 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.28 61.34 6.77 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.434 0.561 . . . . 0.0 109.994 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 m -54.51 152.08 7.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.023 0.529 . . . . 0.0 111.186 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 62.75 -14.48 0.06 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.552 1.941 . . . . 0.0 114.038 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.3 m -80.21 178.73 8.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 110.68 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.1 m -136.2 152.11 50.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 36' ' ' ILE . 35.7 mt -121.51 41.37 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-O 121.742 0.782 . . . . 0.0 110.282 -164.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.8 t60 63.78 -29.0 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.06 1.744 . . . . 0.0 114.201 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.3 m-20 -158.25 -26.97 0.08 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.124 1.37 . . . . 0.0 110.998 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.4 131.48 0.3 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -172.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.34 9.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.786 0.834 . . . . 0.0 112.9 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.58 18.05 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.186 0.995 . . . . 0.0 111.238 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.94 6.19 4.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.82 158.18 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.146 0.578 . . . . 0.0 109.896 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -153.04 157.67 40.83 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.102 0.561 . . . . 0.0 110.304 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -145.76 172.91 12.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.299 1.04 . . . . 0.0 108.622 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.543 HD11 ' CE2' ' A' ' 58' ' ' PHE . 34.3 mt . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.578 0.704 . . . . 0.0 110.256 -173.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.2 m-85 -142.65 170.45 15.67 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.487 1.115 . . . . 0.0 109.617 175.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -147.26 118.52 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 123.659 0.784 . . . . 0.0 108.907 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -76.91 154.29 33.83 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.28 -173.7 3.23 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.11 -21.32 7.44 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.12 -0.822 . . . . 0.0 114.064 -173.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -158.1 171.53 20.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.765 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 33.0 tt0 -59.16 -29.67 67.6 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.929 0.892 . . . . 0.0 110.511 175.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.73 -28.02 64.4 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.902 -0.499 . . . . 0.0 110.584 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.03 -36.66 48.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.201 -0.312 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.03 -38.33 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.87 -46.99 87.03 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.244 0.474 . . . . 0.0 110.289 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.3 mtm -66.76 -28.28 68.28 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.11 -29.51 64.16 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.262 0.483 . . . . 0.0 111.18 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.24 -15.2 57.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.166 0.586 . . . . 0.0 111.811 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.46 -7.92 29.3 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 27.71 3.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.251 0.548 . . . . 0.0 110.55 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -46.65 -11.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -155.82 29.02 0.37 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.881 1.219 . . . . 0.0 112.504 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.27 -158.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.596 0.713 . . . . 0.0 111.687 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -144.99 150.52 37.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.857 0.863 . . . . 0.0 110.089 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.67 -13.1 61.64 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.48 -7.52 5.92 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -151.3 -7.99 0.24 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -153.17 148.8 27.33 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.364 0.984 . . . . 0.0 112.443 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.4 124.82 23.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 127.008 2.123 . . . . 0.0 110.593 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -124.26 160.66 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -148.67 160.31 43.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 111.61 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.03 146.38 20.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -146.86 151.11 36.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -73.08 146.94 45.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.064 -0.398 . . . . 0.0 110.997 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -141.35 -177.55 5.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.041 0.448 . . . . 0.0 110.731 -176.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -146.0 9.63 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.506 0.722 . . . . 0.0 111.429 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 75.59 -25.96 0.2 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.62 1.568 . . . . 0.0 113.683 173.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.1 m -68.84 -39.08 80.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.788 0.722 . . . . 0.0 109.777 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.85 -39.09 83.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.48 -47.7 81.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.19 -30.41 69.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.6 0.36 . . . . 0.0 111.604 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.394 0.678 . . . . 0.0 112.765 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.1 p -120.84 -18.76 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.294 0.497 . . . . 0.0 111.661 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.04 -5.2 16.24 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.61 0.641 . . . . 0.0 110.75 172.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.455 -0.184 0 C-N-CA 124.206 1.002 . . . . 0.0 111.001 -177.227 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.4 m-85 . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.49 153.59 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.0 m -136.78 154.28 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.292 0.568 . . . . 0.0 111.348 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HE3' ' O ' ' A' ' 87' ' ' LYS . 63.8 mttt -85.46 159.71 19.88 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.829 175.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.41 132.42 24.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -145.63 172.51 13.16 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 122.6 0.36 . . . . 0.0 110.049 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.85 -128.63 9.35 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 22' ' ' CYS . 8.1 mt 70.05 165.72 0.13 Allowed Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 122.715 0.406 . . . . 0.0 109.906 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 83.7 Cg_endo -76.89 -21.12 12.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.643 2.229 . . . . 0.0 112.784 -170.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 164.69 -30.49 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.315 1.846 . . . . 0.0 108.325 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -155.02 169.88 23.06 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.639 1.176 . . . . 0.0 109.477 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.438 ' HB2' HD13 ' A' ' 18' ' ' LEU . 7.6 t -160.95 -175.4 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.221 -0.299 . . . . 0.0 111.594 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -139.35 163.44 32.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.16 0.984 . . . . 0.0 110.047 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.426 HG13 ' H ' ' A' ' 24' ' ' VAL . 1.4 m -67.4 -20.64 26.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -171.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -84.83 -27.26 26.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.462 0.574 . . . . 0.0 111.523 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -79.74 -35.06 39.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.01 0.368 . . . . 0.0 110.037 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -67.37 -44.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.688 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -73.67 -18.16 61.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 119.11 0.868 . . . . 0.0 111.649 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -28.11 63.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.896 0.316 . . . . 0.0 110.492 173.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.17 -36.79 34.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -80.62 175.57 10.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -153.85 157.85 39.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.885 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 52.49 7.62 0.07 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.979 1.312 . . . . 0.0 113.264 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.7 p -79.17 179.57 7.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.24 1.016 . . . . 0.0 110.287 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -140.82 5.95 1.99 Allowed 'General case' 0 C--N 1.338 0.083 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 mm 43.82 24.32 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.514 1.926 . . . . 0.0 113.717 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.9 t60 63.26 -36.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.718 1.607 . . . . 0.0 113.967 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -152.45 -2.36 0.26 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.24 1.016 . . . . 0.0 111.552 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 102.35 -137.3 13.29 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -173.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 0.1 0.19 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.197 0.599 . . . . 0.0 112.304 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -105.16 16.85 25.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.324 1.05 . . . . 0.0 111.493 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.69 3.29 4.22 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 p -75.09 157.99 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.486 0.643 . . . . 0.0 109.383 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -150.72 162.2 41.17 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.55 0.74 . . . . 0.0 109.143 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -145.75 173.91 11.68 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.943 0.497 . . . . 0.0 110.58 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.512 HD11 ' CE2' ' A' ' 58' ' ' PHE . 16.3 mt . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.9 0.857 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.512 ' CE2' HD11 ' A' ' 46' ' ' ILE . 79.2 m-85 -139.31 161.41 37.5 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.15 171.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.6 t -142.37 110.61 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -74.9 153.97 38.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -132.08 -174.51 3.45 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.81 -24.92 7.85 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.97 -0.906 . . . . 0.0 114.168 -175.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.1 m -148.11 165.56 30.47 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.729 1.265 . . . . 0.0 112.235 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.7 tt0 -59.93 -30.38 69.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.137 0.575 . . . . 0.0 110.479 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.93 -29.31 68.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.204 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -73.65 -41.2 63.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.207 -0.308 . . . . 0.0 110.289 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -40.42 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.53 -43.96 97.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 63.6 mtm -67.07 -30.05 69.99 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.79 63.26 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.286 0.494 . . . . 0.0 111.337 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.8 -17.31 57.61 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.099 0.56 . . . . 0.0 111.825 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.87 -6.14 11.28 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 28.86 3.31 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 118.633 0.652 . . . . 0.0 110.661 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -44.57 -11.9 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -149.39 22.13 0.93 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.959 1.254 . . . . 0.0 112.757 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -69.58 -168.21 0.17 Allowed 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.659 -0.651 . . . . 0.0 112.158 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -139.0 174.38 10.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.51 0.724 . . . . 0.0 111.911 -171.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.9 mtt -110.79 -13.97 14.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.957 0.503 . . . . 0.0 111.574 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.47 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.704 -0.498 . . . . 0.0 113.411 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -149.64 4.61 0.59 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.844 0.822 . . . . 0.0 111.285 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.2 ttp-105 -155.22 162.93 40.8 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.27 1.7 p90 -118.02 164.09 15.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.105 0.955 . . . . 0.0 113.397 -176.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 mm -132.25 165.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -169.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -143.2 148.29 36.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.607 0.242 . . . . 0.0 110.435 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.81 153.71 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -158.53 163.6 36.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.413 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 77.6 tttt -79.41 155.17 28.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.968 -0.458 . . . . 0.0 110.977 -175.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t -144.49 177.61 8.53 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.983 0.513 . . . . 0.0 110.907 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -153.05 15.06 0.54 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.328 0.651 . . . . 0.0 112.252 -172.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 74.7 -34.52 0.27 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.318 1.847 . . . . 0.0 114.005 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -64.6 -39.25 93.39 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 119.04 0.836 . . . . 0.0 110.424 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.533 ' O ' HG12 ' A' ' 96' ' ' VAL . 47.2 tt0 -68.62 -42.78 77.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.3 ttp -59.5 -42.68 92.73 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.535 0.522 . . . . 0.0 110.863 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.94 -30.05 71.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -83.26 -22.08 33.15 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 92' ' ' GLU . 7.2 p -110.68 -10.8 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 122.653 0.381 . . . . 0.0 112.009 -175.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -6.5 28.82 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.602 -0.686 . . . . 0.0 111.408 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 t -138.78 144.05 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.62 160.42 27.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.31 0.576 . . . . 0.0 111.464 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -94.95 160.58 14.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.294 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -135.29 141.16 45.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.093 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' H ' HD13 ' A' ' 15' ' ' LEU . 45.9 ttt180 -153.9 162.98 40.79 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.757 0.823 . . . . 0.0 109.061 -174.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.57 -164.21 14.69 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 70.1 mt 70.18 172.87 0.1 OUTLIER Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.186 1.394 . . . . 0.0 110.361 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 50.5 Cg_exo -56.83 28.43 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.676 1 C-N-CA 125.701 4.268 . . . . 0.0 115.159 173.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.433 ' H ' ' C ' ' A' ' 18' ' ' LEU . 12.8 m0 51.35 32.61 8.66 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.056 0.942 . . . . 0.0 111.141 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.0 t -151.61 138.23 18.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.565 1.146 . . . . 0.0 107.95 173.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 t -162.54 174.67 12.34 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.439 0.295 . . . . 0.0 110.436 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -142.64 162.95 34.14 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.026 0.93 . . . . 0.0 109.456 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.96 -19.84 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.91 -24.28 35.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.882 0.31 . . . . 0.0 111.683 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -84.46 -35.91 22.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.988 0.358 . . . . 0.0 110.265 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.7 -36.35 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.755 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.07 -26.95 59.73 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.432 0.56 . . . . 0.0 110.951 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -25.08 64.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.467 0.307 . . . . 0.0 111.011 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -95.1 -21.43 18.54 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -102.51 62.11 0.84 Allowed 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 p -53.11 153.14 3.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 111.07 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 57.86 -1.59 0.08 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.672 1.589 . . . . 0.0 114.787 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.52 178.93 4.96 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.369 0.986 . . . . 0.0 110.068 175.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -123.39 -18.91 6.08 Favored 'General case' 0 N--CA 1.46 0.075 0 C-N-CA 122.678 0.391 . . . . 0.0 111.986 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.7 mt 54.7 23.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.408 1.083 . . . . 0.0 112.128 172.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.4 t60 67.36 -42.93 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.704 1.602 . . . . 0.0 113.304 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -152.56 1.72 0.32 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.3 1.04 . . . . 0.0 111.388 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 84.61 -120.14 5.19 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.82 5.4 0.13 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.116 0.966 . . . . 0.0 112.676 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -126.68 19.07 7.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.934 0.894 . . . . 0.0 111.222 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.45 0.92 4.35 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 p -74.1 160.94 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 117.28 0.54 . . . . 0.0 109.983 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.51 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 75.0 m-70 -151.27 160.4 43.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.916 0.887 . . . . 0.0 108.978 172.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -145.33 173.54 11.89 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.459 0.704 . . . . 0.0 109.454 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 58' ' ' PHE . 61.0 mt . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.704 0.288 . . . . 0.0 111.003 -172.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 121.38 0.609 . . . . 0.0 112.389 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' A' ' 46' ' ' ILE . 88.5 m-85 -139.26 164.95 28.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.005 0.922 . . . . 0.0 108.812 171.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 t -144.96 112.52 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -77.85 150.0 34.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 mt -126.57 -167.03 1.66 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.579 0.352 . . . . 0.0 110.359 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -117.93 -22.23 3.97 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.986 -0.896 . . . . 0.0 113.966 -174.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -149.97 168.47 23.73 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 118.805 1.302 . . . . 0.0 111.603 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.39 -32.96 71.81 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.946 0.498 . . . . 0.0 110.286 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.37 -28.4 69.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.428 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -76.41 -41.49 47.55 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.196 -0.315 . . . . 0.0 110.378 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.92 -39.42 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -61.52 -43.41 98.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 117.991 0.36 . . . . 0.0 110.252 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.5 mtm -66.03 -31.37 72.22 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.9 60.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.239 0.472 . . . . 0.0 111.337 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.94 -13.89 55.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.049 0.539 . . . . 0.0 112.025 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.42 -8.39 32.7 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.7 25.21 4.03 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 123.498 0.719 . . . . 0.0 110.217 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.2 -12.94 0.06 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -159.57 34.16 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.428 1.013 . . . . 0.0 112.38 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -111.82 -173.61 2.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.517 0.327 . . . . 0.0 110.869 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -119.01 151.26 38.53 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -163.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.8 mtt -71.36 -26.85 62.98 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.781 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.1 -9.22 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.125 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -147.0 -17.69 0.4 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.833 1.316 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -151.64 163.44 39.09 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 83' ' ' ILE 0.304 0.8 OUTLIER -103.44 154.84 19.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -170.865 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.6 HD12 ' C ' ' A' ' 82' ' ' TYR . 1.6 mp -121.53 163.33 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -173.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' HG22 ' A' ' 83' ' ' ILE . 13.6 mt-10 -137.61 145.55 42.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.11 153.55 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -157.97 159.01 36.01 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -75.53 151.55 37.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -177.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.4 t -138.31 176.41 8.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.846 0.355 . . . . 0.0 111.072 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -143.01 13.85 1.87 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.582 0.753 . . . . 0.0 111.859 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 74.34 -33.15 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.624 1.57 . . . . 0.0 112.853 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.3 m -65.73 -39.36 91.08 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.537 0.608 . . . . 0.0 110.396 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.68 -40.43 72.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.442 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 63.4 ttp -57.02 -47.21 81.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.34 -30.84 71.32 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.542 0.211 . . . . 0.0 111.541 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -71.38 -24.86 62.15 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.559 0.744 . . . . 0.0 112.873 -176.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.73 -12.97 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 117.926 0.33 . . . . 0.0 111.117 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.3 -2.74 17.26 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.468 -0.77 . . . . 0.0 111.019 172.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mttp . . . . . 0 CA--C 1.529 0.161 0 C-N-CA 123.559 0.744 . . . . 0.0 112.183 -178.44 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.5 m-85 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 121.299 0.571 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -129.44 151.88 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -137.19 157.86 35.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 121.225 0.536 . . . . 0.0 111.07 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -90.73 155.14 19.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 175.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -141.07 133.9 28.94 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.541 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' N ' HD13 ' A' ' 15' ' ' LEU . 74.5 mtt180 -143.44 153.78 43.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.05 -169.36 23.34 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.123 -0.561 . . . . 0.0 113.59 174.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.404 HD21 HD11 ' A' ' 83' ' ' ILE . 36.8 mt 60.75 151.3 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 125.025 1.33 . . . . 0.0 113.314 -176.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -63.81 89.93 0.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 124.817 3.678 . . . . 0.0 112.646 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 13.6 m95 56.59 0.37 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 115.946 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -152.04 160.09 43.54 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 119.422 1.01 . . . . 0.0 111.466 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.4 t -162.43 173.31 14.26 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.208 1.003 . . . . 0.0 109.054 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.8 p -148.43 166.69 27.36 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 122.92 0.488 . . . . 0.0 110.461 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG13 ' H ' ' A' ' 24' ' ' VAL . 2.0 m -67.29 -18.99 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 119.685 -0.198 . . . . 0.0 111.531 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.89 -28.69 27.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.949 0.34 . . . . 0.0 111.55 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -78.82 -35.91 43.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.121 0.418 . . . . 0.0 110.019 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.56 -38.62 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.193 -0.317 . . . . 0.0 110.806 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.91 -24.44 62.46 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.639 0.654 . . . . 0.0 110.296 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.741 0.416 . . . . 0.0 111.33 174.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -92.16 -32.76 14.99 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -91.95 53.57 2.22 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.2 p -64.68 9.13 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.869 1.668 . . . . 0.0 114.374 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -127.79 5.55 6.07 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 123.145 0.578 . . . . 0.0 110.407 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.7 m -124.93 -176.83 3.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.457 0.703 . . . . 0.0 111.188 -171.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.5 m -133.85 129.11 35.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.52 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.3 mp -85.15 42.26 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.669 1.187 . . . . 0.0 109.578 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.6 t60 60.19 -19.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 113.56 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.8 m-20 -155.38 -37.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.695 1.598 . . . . 0.0 109.115 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.6 -41.69 1.63 Allowed Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.202 0.906 . . . . 0.0 111.216 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.09 12.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.901 1.28 . . . . 0.0 110.405 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -128.42 18.13 6.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.3 0.64 . . . . 0.0 111.147 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.59 7.41 4.25 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.59 160.09 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.154 0.582 . . . . 0.0 109.878 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -151.12 155.46 38.97 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.223 0.609 . . . . 0.0 110.023 173.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.08 168.86 19.92 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.679 0.792 . . . . 0.0 109.341 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 58' ' ' PHE . 32.7 mt . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' A' ' 46' ' ' ILE . 94.2 m-85 -137.66 167.11 22.35 Favored 'General case' 0 C--N 1.338 0.071 0 C-N-CA 124.851 1.26 . . . . 0.0 108.796 172.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 HG23 ' A' ' 36' ' ' ILE . 48.7 t -145.82 112.08 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.17 151.14 40.08 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.22 -177.88 4.5 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.938 0.399 . . . . 0.0 111.192 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.33 -34.2 6.82 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.905 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.3 m -153.17 171.26 18.75 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.362 1.081 . . . . 0.0 111.885 -176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.9 tt0 -59.45 -28.27 66.82 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.26 0.624 . . . . 0.0 110.994 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.51 -28.24 64.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.57 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.64 -37.54 56.16 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.259 -0.276 . . . . 0.0 110.596 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.59 -39.93 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.75 -43.19 99.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.176 0.444 . . . . 0.0 110.381 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.1 mtm -70.19 -27.42 64.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.25 -29.88 65.65 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.447 0.567 . . . . 0.0 110.834 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.6 mt -78.43 -18.26 55.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.243 0.617 . . . . 0.0 111.695 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.98 -8.45 22.88 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 26.19 3.9 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.39 0.614 . . . . 0.0 110.715 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 46.8 p30 -44.6 -12.5 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -145.81 16.37 1.42 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 120.534 1.515 . . . . 0.0 111.792 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -71.61 -161.27 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.608 0.718 . . . . 0.0 111.754 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -143.47 157.54 44.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.584 0.754 . . . . 0.0 110.315 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.1 mtt -76.46 -7.52 55.25 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.148 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.59 -17.91 6.08 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -144.03 -4.58 0.82 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -154.75 140.11 17.7 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.6 0.636 . . . . 0.0 111.315 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.419 ' CE1' ' HG2' ' A' ' 84' ' ' GLU . 1.6 t80 -67.22 145.18 55.48 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.793 1.637 . . . . 0.0 111.408 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.404 HD11 HD21 ' A' ' 18' ' ' LEU . 30.4 mm -132.48 157.39 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 125.343 1.457 . . . . 0.0 107.848 -177.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HG2' ' CE1' ' A' ' 82' ' ' TYR . 4.9 mm-40 -135.1 138.16 43.53 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -176.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.9 149.58 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -154.81 155.32 34.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -75.87 155.17 35.53 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.16 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.7 t -143.3 -173.11 3.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.698 0.399 . . . . 0.0 110.209 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 2.8 p80 -140.19 -44.2 0.42 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.162 -173.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 131.19 -21.86 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.296 2.638 . . . . 0.0 112.398 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 m -67.0 -41.26 87.02 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 118.121 0.418 . . . . 0.0 110.455 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.28 -37.37 71.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 60.1 ttp -62.82 -35.7 80.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.452 0.301 . . . . 0.0 110.465 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.86 -27.77 60.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.735 0.302 . . . . 0.0 111.535 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -77.59 -64.41 1.16 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -175.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.15 -17.52 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 122.29 -0.256 . . . . 0.0 111.601 -173.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.79 -9.9 53.67 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.152 0.433 . . . . 0.0 111.246 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 CA--C 1.53 0.187 0 C-N-CA 123.549 0.74 . . . . 0.0 112.274 -176.083 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.53 148.43 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.83 154.57 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.241 0.543 . . . . 0.0 111.132 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -82.74 156.29 23.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.14 133.48 26.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -154.24 153.88 32.51 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 -172.15 24.13 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.5 -0.381 . . . . 0.0 112.428 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD21 HD11 ' A' ' 83' ' ' ILE . 22.1 mt 60.07 162.24 0.1 Allowed Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.113 1.365 . . . . 0.0 113.837 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.73 75.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 1 C-N-CA 126.475 4.784 . . . . 0.0 114.993 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 3.8 m95 52.61 6.0 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 t -157.82 155.75 30.27 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 120.525 1.511 . . . . 0.0 113.177 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -161.74 -179.89 7.59 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.916 1.686 . . . . 0.0 108.967 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.1 p -145.45 171.06 15.18 Favored 'General case' 0 C--N 1.339 0.126 0 O-C-N 122.049 -0.407 . . . . 0.0 111.131 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.83 -20.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.35 -28.05 34.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.983 0.356 . . . . 0.0 111.352 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -78.99 -36.59 41.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.06 0.391 . . . . 0.0 109.988 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.23 -37.23 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 O-C-N 122.395 -0.191 . . . . 0.0 110.857 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.36 -24.51 61.29 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.612 0.642 . . . . 0.0 110.345 176.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -23.1 61.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.645 0.378 . . . . 0.0 111.303 172.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -99.2 -25.89 14.37 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.18 53.73 0.74 Allowed 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.2 p -63.35 9.83 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.433 1.493 . . . . 0.0 114.313 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -125.42 4.66 7.67 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.149 0.579 . . . . 0.0 110.709 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.09 -178.92 3.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.456 0.702 . . . . 0.0 110.815 -175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -123.61 -13.3 7.54 Favored 'General case' 0 C--O 1.23 0.051 0 C-N-CA 122.793 0.437 . . . . 0.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.7 mt 52.75 29.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.096 0.959 . . . . 0.0 111.259 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.9 t60 63.03 -18.69 0.05 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.491 1.516 . . . . 0.0 113.573 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.14 -37.41 0.07 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.92 1.288 . . . . 0.0 109.875 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.26 -38.77 2.22 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 124.056 0.836 . . . . 0.0 111.428 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.42 11.48 1.01 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.065 1.346 . . . . 0.0 110.457 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -128.45 15.74 6.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.979 0.511 . . . . 0.0 111.355 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.84 4.87 7.45 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 175.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.04 160.5 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.293 0.637 . . . . 0.0 109.783 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -149.66 154.7 39.01 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 123.438 0.695 . . . . 0.0 109.361 173.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -150.52 159.66 44.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.35 0.66 . . . . 0.0 109.248 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.616 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -145.41 171.13 15.06 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.706 0.802 . . . . 0.0 110.83 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -147.01 115.26 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.982 0.913 . . . . 0.0 109.01 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -79.51 147.28 32.27 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -123.0 -173.18 2.65 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.863 0.363 . . . . 0.0 110.743 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.22 -30.46 5.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.982 -0.899 . . . . 0.0 113.546 -175.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.9 m -150.86 172.28 15.89 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.601 1.201 . . . . 0.0 112.118 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.22 -30.42 70.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.32 -27.73 64.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.355 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -76.81 -37.1 56.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.156 -0.34 . . . . 0.0 110.6 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.33 -39.26 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.47 -46.75 88.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.15 0.432 . . . . 0.0 110.47 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.5 mtm -67.04 -27.62 67.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.53 62.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.271 0.487 . . . . 0.0 110.959 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.4 -17.19 58.37 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.974 0.51 . . . . 0.0 111.564 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -66.26 -9.09 29.15 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 26.9 4.03 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-O 121.451 0.643 . . . . 0.0 110.714 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.6 p30 -48.17 -5.45 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -155.13 25.24 0.42 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.042 1.292 . . . . 0.0 112.749 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -72.04 -162.15 0.09 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.826 0.822 . . . . 0.0 111.437 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.7 t -144.16 152.96 41.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.572 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.7 mtt -76.24 -11.17 59.87 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.829 0.452 . . . . 0.0 110.472 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.94 -3.66 7.41 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 119.555 -0.581 . . . . 0.0 111.991 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -149.66 -16.68 0.27 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.04 0.92 . . . . 0.0 113.009 -177.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -152.91 154.07 34.3 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 119.058 0.844 . . . . 0.0 111.805 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.95 128.09 35.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 111.74 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.472 HD11 HD21 ' A' ' 18' ' ' LEU . 19.2 mm -121.59 161.38 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 175.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -146.55 157.9 43.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 111.374 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -142.09 154.1 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -156.41 156.24 33.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -72.34 151.69 42.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.909 -0.494 . . . . 0.0 110.943 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.1 t -141.28 173.83 11.11 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.094 0.558 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -150.32 13.07 0.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.576 0.75 . . . . 0.0 112.002 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 79.38 -28.07 0.15 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.745 2.018 . . . . 0.0 113.274 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -67.67 -40.2 84.46 Favored 'General case' 0 CA--C 1.524 -0.037 0 CA-C-N 119.083 0.856 . . . . 0.0 110.406 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.52 -45.09 73.17 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -61.84 -43.25 99.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.273 -175.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.12 -33.11 75.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.335 0.254 . . . . 0.0 111.441 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -69.88 -55.16 10.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.77 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.14 -26.49 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 117.91 0.323 . . . . 0.0 111.745 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.83 -8.83 31.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.812 0.733 . . . . 0.0 110.795 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.4 mttt . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.592 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--O 1.226 -0.132 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.55 155.51 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.91 154.78 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 121.043 0.449 . . . . 0.0 109.971 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -89.47 157.44 18.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -135.66 142.84 45.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' H ' HD13 ' A' ' 15' ' ' LEU . 40.0 ttm180 -149.67 148.35 29.18 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.96 -167.6 18.31 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.545 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 83' ' ' ILE . 31.4 mt 63.38 156.08 0.12 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 125.302 1.441 . . . . 0.0 112.79 -177.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.79 69.57 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.903 3.735 . . . . 0.0 112.128 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 47.81 24.94 0.64 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.589 1.555 . . . . 0.0 113.623 176.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -151.13 146.52 26.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.801 -0.562 . . . . 0.0 110.52 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 t -166.93 178.79 5.6 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.95 0.9 . . . . 0.0 108.895 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.8 p -146.5 163.48 35.58 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.92 0.488 . . . . 0.0 109.715 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -68.47 -19.45 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.169 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.52 -27.86 27.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.653 0.206 . . . . 0.0 111.27 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.86 -34.42 39.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.982 0.355 . . . . 0.0 110.055 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -72.91 -37.72 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 117.749 0.25 . . . . 0.0 110.802 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.91 -25.47 61.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.605 0.639 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -28.27 65.09 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.591 0.357 . . . . 0.0 110.975 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -86.98 -19.31 28.91 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -102.85 63.67 0.84 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.822 0.849 . . . . 0.0 109.075 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 m -53.75 146.81 12.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.908 0.483 . . . . 0.0 110.824 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 59.11 -3.88 0.08 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.977 1.711 . . . . 0.0 114.482 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.7 m -81.95 -177.76 6.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 119.076 0.853 . . . . 0.0 110.435 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m -139.88 138.41 35.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.484 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.3 mp -99.69 43.29 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 109.76 -173.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.9 t60 62.33 -27.98 0.07 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.151 1.78 . . . . 0.0 114.221 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.13 -25.31 0.09 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.378 1.471 . . . . 0.0 110.673 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.67 126.91 0.36 Allowed Glycine 0 C--N 1.338 0.65 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.63 12.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.868 0.867 . . . . 0.0 112.99 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.35 16.77 2.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.338 1.055 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.38 6.92 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -78.75 159.0 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 117.425 0.612 . . . . 0.0 109.871 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -153.89 161.95 41.61 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.587 0.755 . . . . 0.0 109.797 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.06 170.33 18.62 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.227 1.011 . . . . 0.0 109.349 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.518 HD11 ' CE2' ' A' ' 58' ' ' PHE . 36.6 mt . . . . . 0 CA--C 1.529 0.146 0 CA-C-N 118.004 0.366 . . . . 0.0 110.554 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.518 ' CE2' HD11 ' A' ' 46' ' ' ILE . 96.6 m-85 -140.87 166.23 25.35 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-O 121.115 0.483 . . . . 0.0 110.454 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -144.83 112.72 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.29 146.77 45.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.77 -174.71 3.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.454 0.57 . . . . 0.0 110.668 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.33 -22.96 7.19 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.09 -0.839 . . . . 0.0 113.809 -172.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -148.71 164.51 34.15 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 118.521 1.16 . . . . 0.0 111.03 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -59.0 -32.98 70.19 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.93 -25.47 66.37 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 122.046 -0.409 . . . . 0.0 111.36 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.62 -40.15 50.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.68 -39.02 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -56.44 -51.04 69.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.7 mtm -64.75 -28.22 69.43 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.493 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -74.18 -29.09 61.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.063 -0.398 . . . . 0.0 111.548 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -79.49 -14.41 58.91 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.722 0.409 . . . . 0.0 111.858 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.49 -10.39 57.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -130.75 33.06 4.28 Favored 'General case' 0 N--CA 1.458 -0.044 0 CA-C-N 118.703 0.683 . . . . 0.0 111.209 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.56 -7.29 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.97 24.04 0.38 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 120.08 1.309 . . . . 0.0 112.712 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.9 -158.77 0.07 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.531 0.681 . . . . 0.0 111.511 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -143.48 149.06 37.01 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.141 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.7 mtt -73.24 -12.42 60.86 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.06 -13.46 4.97 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -145.33 -6.44 0.64 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -156.56 148.1 22.56 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.401 1.001 . . . . 0.0 112.275 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.18 128.55 36.31 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.226 2.21 . . . . 0.0 111.028 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.446 HD11 HD21 ' A' ' 18' ' ' LEU . 23.5 mm -120.97 163.72 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 83' ' ' ILE . 12.6 mt-10 -147.66 154.5 40.69 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.855 0.462 . . . . 0.0 110.106 176.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -145.8 156.81 12.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -157.59 165.45 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -82.1 151.56 26.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.582 0.23 . . . . 0.0 110.431 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -149.14 176.89 10.1 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.815 0.446 . . . . 0.0 110.663 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -148.04 12.9 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 111.705 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 78.82 -27.91 0.16 Allowed 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 125.49 1.516 . . . . 0.0 113.778 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.2 m -68.82 -39.02 80.24 Favored 'General case' 0 C--N 1.335 -0.023 0 CA-C-N 118.731 0.696 . . . . 0.0 109.878 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.7 -38.11 80.03 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 62.0 ttp -56.6 -46.76 80.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 -30.14 70.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.788 0.435 . . . . 0.0 111.88 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -73.33 -21.56 60.52 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.1 -12.71 10.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.116 0.416 . . . . 0.0 111.787 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.39 -5.4 36.19 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.196 -0.94 . . . . 0.0 111.533 173.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm . . . . . 0 C--N 1.341 0.2 0 C-N-CA 122.878 0.471 . . . . 0.0 112.259 -178.484 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 2.9 m-30 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 121.42 0.629 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.98 148.72 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.76 157.46 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 CA-C-O 121.221 0.534 . . . . 0.0 111.623 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -88.4 157.92 18.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -144.47 141.07 29.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' HD13 ' A' ' 15' ' ' LEU . 58.1 ttp180 -155.1 152.02 29.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.73 -177.29 20.28 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 112.101 -0.399 . . . . 0.0 112.101 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 19.6 mt 59.21 167.8 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 124.462 1.105 . . . . 0.0 112.269 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 18.9 Cg_endo -54.34 143.37 65.75 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 121.672 1.581 . . . . 0.0 108.243 168.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.64 67.36 0.77 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.299 0.571 . . . . 0.0 112.154 -174.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -155.56 17.67 0.39 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.133 1.373 . . . . 0.0 110.304 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.64 170.81 1.31 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.927 1.291 . . . . 0.0 112.306 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -143.15 168.65 19.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.402 0.681 . . . . 0.0 111.109 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.408 ' CG1' HG11 ' A' ' 43' ' ' VAL . 1.9 m -64.98 -19.26 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 123.289 0.636 . . . . 0.0 112.614 -174.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.89 -28.29 30.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 111.159 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.99 -37.47 47.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.075 0.398 . . . . 0.0 109.977 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.13 -42.37 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 119.351 -0.357 . . . . 0.0 111.081 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.7 -21.03 57.95 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.096 0.862 . . . . 0.0 111.28 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.96 65.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.321 0.248 . . . . 0.0 111.033 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -84.9 -33.84 22.68 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.38 51.96 2.37 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 7.4 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 114.891 -174.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -122.73 0.66 9.31 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-N 118.374 0.534 . . . . 0.0 110.454 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.9 m -111.91 -174.76 2.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.886 0.874 . . . . 0.0 110.799 -172.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.6 m -139.63 132.51 29.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -82.74 141.03 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -49.94 -35.36 23.81 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -150.67 1.7 0.44 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.017 0.527 . . . . 0.0 111.773 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.74 -133.34 11.44 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 1.94 0.63 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.917 0.487 . . . . 0.0 112.182 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.21 17.3 21.09 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.401 1.081 . . . . 0.0 110.409 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.87 27.74 3.15 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.408 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.0 p -118.44 161.81 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.144 0.578 . . . . 0.0 110.152 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -150.98 158.8 44.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.509 0.724 . . . . 0.0 109.474 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -147.61 143.81 27.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mm . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.667 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.709 0.766 . . . . 0.0 112.703 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.24 159.47 42.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.889 1.276 . . . . 0.0 107.597 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -142.08 117.7 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.38 148.48 29.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.3 mt -127.02 -173.58 2.93 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.176 0.512 . . . . 0.0 111.293 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.43 -32.9 6.42 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.507 -175.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -151.93 169.09 23.15 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.447 1.124 . . . . 0.0 111.894 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 39.1 tp10 -60.92 -27.05 67.92 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.031 0.532 . . . . 0.0 110.672 176.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.65 -27.59 64.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.29 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -76.62 -36.42 57.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.386 0.274 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -69.4 -39.72 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.7 -45.24 94.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.396 0.544 . . . . 0.0 110.51 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 48.8 mtm -68.08 -25.18 65.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.34 -28.79 63.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.203 0.456 . . . . 0.0 111.113 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.12 -14.6 57.53 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.406 0.682 . . . . 0.0 112.076 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.16 -4.38 13.62 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -136.16 26.71 3.22 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 124.052 0.941 . . . . 0.0 109.618 -178.513 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -48.76 -14.34 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -157.33 15.53 0.26 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 119.902 1.228 . . . . 0.0 113.336 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 73' ' ' LYS . 10.3 pt-20 -78.83 -161.08 0.26 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.963 -0.461 . . . . 0.0 110.257 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.0 t -130.98 154.78 47.8 Favored 'General case' 0 N--CA 1.458 -0.054 0 O-C-N 121.903 -0.498 . . . . 0.0 112.011 -171.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.68 -17.69 64.98 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.996 0.518 . . . . 0.0 110.129 174.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.67 -5.68 5.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -151.31 -11.66 0.21 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -155.53 147.72 23.63 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.234 0.924 . . . . 0.0 112.136 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.83 131.38 46.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.372 2.269 . . . . 0.0 111.411 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 84' ' ' GLU . 25.4 mm -122.43 167.37 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' HG22 ' A' ' 83' ' ' ILE . 9.9 mt-10 -145.8 147.07 31.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.862 0.465 . . . . 0.0 109.921 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.57 153.71 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.113 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -156.8 156.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.55 152.96 37.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -140.49 179.22 6.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.56 . . . . 0.0 110.648 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -144.19 12.56 1.59 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.493 0.717 . . . . 0.0 110.898 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 74.35 -26.63 0.19 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.299 1.439 . . . . 0.0 113.66 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -70.18 -38.52 75.39 Favored 'General case' 0 C--N 1.335 -0.033 0 CA-C-N 118.54 0.609 . . . . 0.0 109.954 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.8 -38.7 76.72 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.72 -40.87 89.46 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -70.75 -28.36 64.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -74.35 -60.5 2.24 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.69 -24.72 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.159 0.436 . . . . 0.0 111.722 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.22 -4.9 23.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.361 0.528 . . . . 0.0 111.048 175.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 CA--C 1.531 0.227 0 C-N-CA 123.779 0.832 . . . . 0.0 112.161 -175.701 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.8 t -121.87 151.12 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.58 168.92 19.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -103.16 159.2 15.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.549 0.74 . . . . 0.0 109.168 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.432 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -141.1 138.71 33.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.679 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.432 ' H ' HD13 ' A' ' 15' ' ' LEU . 3.0 ptm180 -155.35 149.25 25.51 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.08 -165.62 24.27 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 121.537 -0.364 . . . . 0.0 112.492 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.511 HD21 HD11 ' A' ' 83' ' ' ILE . 34.9 mt 59.69 148.36 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 C-N-CA 125.589 1.555 . . . . 0.0 114.177 -177.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.35 98.52 0.33 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 124.366 3.378 . . . . 0.0 112.096 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 48.69 9.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.374 1.87 . . . . 0.0 115.971 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -156.04 155.58 32.91 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 120.302 1.41 . . . . 0.0 113.036 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.3 t -166.38 165.03 17.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.057 1.343 . . . . 0.0 108.07 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -144.84 162.51 36.62 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.07 -21.12 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -80.71 -24.32 38.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.777 0.262 . . . . 0.0 111.49 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -84.13 -33.97 24.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.003 0.365 . . . . 0.0 110.34 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.31 -36.77 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 O-C-N 122.374 -0.204 . . . . 0.0 110.777 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.13 -27.53 62.68 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.028 0.376 . . . . 0.0 110.043 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.44 63.87 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.864 0.466 . . . . 0.0 111.625 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -88.23 -22.12 24.14 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 8.2 mp -102.99 60.3 0.78 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m -57.93 5.65 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.258 1.823 . . . . 0.0 115.656 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -137.19 6.97 2.86 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.982 0.81 . . . . 0.0 111.403 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 67.5 m -113.67 -179.26 3.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.112 0.565 . . . . 0.0 111.251 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 m -136.94 123.24 20.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.1 mp -83.39 41.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 124.954 1.302 . . . . 0.0 109.957 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.1 t60 60.16 -18.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.776 1.63 . . . . 0.0 113.66 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.6 m-20 -155.41 -37.41 0.09 Allowed 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.839 1.656 . . . . 0.0 109.067 176.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.24 1.38 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 124.208 0.908 . . . . 0.0 111.247 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.7 12.2 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.049 1.34 . . . . 0.0 110.503 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.41 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -126.57 18.66 7.43 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.115 0.566 . . . . 0.0 111.084 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.28 6.0 4.62 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.46 161.21 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.285 0.634 . . . . 0.0 109.93 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -154.72 156.0 35.59 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.133 0.573 . . . . 0.0 110.456 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -148.18 164.3 34.36 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mm . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 122.04 0.924 . . . . 0.0 111.482 -176.806 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.252 0.548 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.407 ' CG ' ' HG3' ' A' ' 93' ' ' MET . 97.2 m-85 -141.7 161.55 37.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.511 HG13 HG23 ' A' ' 36' ' ' ILE . 38.7 t -144.71 104.69 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.15 147.33 46.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.96 -175.58 3.39 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.189 0.519 . . . . 0.0 111.547 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.73 -33.75 6.91 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.425 -174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -151.77 170.07 20.67 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.225 1.013 . . . . 0.0 111.783 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.16 -28.11 67.65 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.46 0.704 . . . . 0.0 111.025 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.26 -28.72 64.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.7 -0.625 . . . . 0.0 110.454 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -74.97 -38.09 61.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.2 -0.313 . . . . 0.0 110.611 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -39.89 82.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.26 -45.12 95.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.142 0.428 . . . . 0.0 110.335 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.0 mtm -67.13 -28.72 68.38 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.021 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.28 -14.32 58.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.011 0.524 . . . . 0.0 111.594 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.52 -7.58 33.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 27.61 4.18 Favored 'General case' 0 C--N 1.337 0.045 0 CA-C-N 118.586 0.63 . . . . 0.0 110.597 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -46.38 -10.37 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 -177.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -151.46 18.95 0.73 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 120.397 1.453 . . . . 0.0 112.072 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -71.7 -161.51 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.745 0.783 . . . . 0.0 112.377 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 t -143.16 149.03 37.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.086 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.6 mtt -73.11 -11.52 60.57 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 122.496 0.319 . . . . 0.0 110.356 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.77 -13.11 3.41 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.608 -0.551 . . . . 0.0 111.77 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -153.48 -3.85 0.2 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 117.912 0.856 . . . . 0.0 113.027 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -150.86 144.72 25.2 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.265 0.938 . . . . 0.0 112.412 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -64.68 125.44 24.76 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 127.528 2.331 . . . . 0.0 110.999 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.511 HD11 HD21 ' A' ' 18' ' ' LEU . 20.7 mm -121.06 161.21 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 176.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 83' ' ' ILE . 23.2 mt-10 -148.09 154.44 40.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.093 0.473 . . . . 0.0 111.1 178.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.37 145.58 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -146.67 152.24 38.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -75.09 145.81 41.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.966 0.412 . . . . 0.0 111.391 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -138.41 -174.26 3.76 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.021 0.529 . . . . 0.0 110.402 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -155.35 16.53 0.4 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.612 0.765 . . . . 0.0 111.676 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 76.52 -28.82 0.18 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.341 1.456 . . . . 0.0 113.176 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -68.24 -38.73 82.15 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.4 0.545 . . . . 0.0 109.838 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -70.7 -33.74 71.21 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.407 ' HG3' ' CG ' ' A' ' 58' ' ' PHE . 63.0 ttp -59.58 -49.76 76.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.39 -28.25 68.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.843 0.457 . . . . 0.0 111.503 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.73 -19.44 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.4 0.68 . . . . 0.0 112.184 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 p -121.35 -24.62 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 118.004 0.365 . . . . 0.0 111.723 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.79 -3.37 21.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.905 0.775 . . . . 0.0 111.485 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 123.156 0.582 . . . . 0.0 112.436 -176.392 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 3.8 m-30 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.085 0.469 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.77 149.39 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -138.76 163.31 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 111.353 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -99.02 159.61 14.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -140.33 139.77 35.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' N ' HD13 ' A' ' 15' ' ' LEU . 93.4 mtt180 -149.85 149.81 31.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.33 -178.33 25.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.519 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.414 HD21 HD11 ' A' ' 83' ' ' ILE . 27.1 mt 61.33 162.02 0.11 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 125.809 1.644 . . . . 0.0 114.135 178.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.34 79.16 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.458 1 C-N-CA 126.478 4.785 . . . . 0.0 114.54 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 6.1 m95 53.69 0.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -151.97 161.72 42.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 120.831 1.651 . . . . 0.0 112.808 -176.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -160.2 -177.35 6.21 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.873 1.269 . . . . 0.0 108.617 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.3 p -143.35 165.43 27.53 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.398 0.545 . . . . 0.0 111.025 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.33 -19.53 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.12 -29.32 24.93 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.109 0.413 . . . . 0.0 111.195 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -79.06 -32.61 44.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.066 0.394 . . . . 0.0 110.227 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -74.88 -37.03 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.464 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -72.17 -26.88 62.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.732 0.696 . . . . 0.0 110.579 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -28.69 62.15 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.271 0.229 . . . . 0.0 110.589 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -84.44 -28.17 27.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.852 0.461 . . . . 0.0 112.09 -174.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -89.28 60.14 5.17 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.2 p -50.42 146.42 5.38 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.134 0.573 . . . . 0.0 110.83 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.33 -10.08 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.179 1.792 . . . . 0.0 114.425 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.78 178.9 5.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 119.52 1.055 . . . . 0.0 110.08 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -140.55 109.26 5.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.527 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -69.75 141.83 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -46.55 -36.19 6.55 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.216 1.006 . . . . 0.0 113.412 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -153.16 9.79 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.324 0.65 . . . . 0.0 111.172 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.97 -121.2 6.17 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.14 3.14 0.46 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.063 0.945 . . . . 0.0 112.546 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.42 15.15 7.71 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.757 0.823 . . . . 0.0 110.842 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.71 -2.42 3.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.23 163.79 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -150.58 161.04 43.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.294 172.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -147.33 172.6 13.63 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.733 0.813 . . . . 0.0 109.184 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 58' ' ' PHE . 33.3 mt . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.404 0.621 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.5 m-85 -138.39 163.8 30.96 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.169 0.988 . . . . 0.0 109.44 173.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.4 t -145.54 119.27 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -81.66 150.75 27.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.7 -171.77 2.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.909 0.385 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.96 -32.05 5.46 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.478 -175.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -152.37 170.15 20.79 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.414 1.107 . . . . 0.0 111.881 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 34.6 tt0 -59.78 -29.22 68.06 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.344 0.657 . . . . 0.0 110.955 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.25 -26.48 63.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.784 -0.573 . . . . 0.0 110.617 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -78.35 -37.62 43.92 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.492 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -39.45 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.76 -46.64 88.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 110.128 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.67 -28.9 68.82 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.33 62.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.349 0.522 . . . . 0.0 111.083 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 mt -84.69 -14.75 47.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.907 0.483 . . . . 0.0 111.467 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.61 -7.25 37.13 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 25.12 4.34 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-O 121.534 0.683 . . . . 0.0 110.445 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -45.11 -12.81 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -148.67 25.13 0.96 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.488 1.494 . . . . 0.0 112.646 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.36 -168.77 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.769 0.713 . . . . 0.0 112.118 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.0 p -141.03 1.22 1.63 Allowed 'General case' 0 C--N 1.335 -0.044 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 57.6 mtt 53.08 10.93 0.19 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.696 0.68 . . . . 0.0 111.433 -171.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.76 6.07 88.46 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.016 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -144.1 -11.0 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.749 1.275 . . . . 0.0 114.269 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.516 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 12.4 tpt180 -154.44 -122.67 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.253 0.933 . . . . 0.0 110.889 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.516 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.4 t80 -162.88 117.51 1.73 Allowed 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.414 HD11 HD21 ' A' ' 18' ' ' LEU . 5.7 mm -121.57 157.18 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -144.65 157.33 44.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.189 0.519 . . . . 0.0 111.438 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.8 153.88 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -153.17 149.58 28.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -73.25 149.72 42.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.112 -0.368 . . . . 0.0 110.113 -175.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 t -140.08 -171.36 3.17 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 3.3 p80 -141.84 -44.1 0.35 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.084 -175.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 133.04 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 128.588 2.755 . . . . 0.0 112.795 171.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.9 m -69.0 -35.74 77.02 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.311 0.505 . . . . 0.0 110.26 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.72 -37.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.1 ttp -63.13 -35.46 80.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.569 0.348 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.82 -27.46 60.3 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.245 -0.284 . . . . 0.0 111.388 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -77.41 -68.38 0.62 Allowed 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.93 -18.85 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -19.03 57.31 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.027 0.531 . . . . 0.0 111.364 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm . . . . . 0 CA--C 1.531 0.231 0 C-N-CA 124.142 0.977 . . . . 0.0 112.238 -178.754 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.2 m-85 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.34 0.591 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.55 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.95 156.57 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.35 0.595 . . . . 0.0 111.506 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -87.25 158.6 19.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.65 133.98 29.77 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -145.45 145.71 31.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.59 -174.09 22.21 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.194 -0.527 . . . . 0.0 114.201 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD21 HD11 ' A' ' 83' ' ' ILE . 24.2 mt 62.91 165.83 0.11 Allowed Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 125.164 1.386 . . . . 0.0 113.394 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 74.7 Cg_exo -51.6 60.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.609 1 C-N-CA 127.384 5.389 . . . . 0.0 116.68 174.479 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.1 m95 58.56 9.24 1.04 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.28 1.432 . . . . 0.0 114.328 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.5 p -158.91 158.78 34.03 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.309 0.504 . . . . 0.0 111.294 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -163.83 -174.84 3.81 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.725 1.21 . . . . 0.0 109.433 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -141.5 167.25 22.62 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.688 0.395 . . . . 0.0 110.95 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.77 -20.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.066 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.17 -26.47 36.0 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.086 0.403 . . . . 0.0 111.683 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -82.62 -35.89 26.6 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.197 0.453 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.98 -34.81 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.198 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.78 -25.68 49.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.468 0.576 . . . . 0.0 110.914 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -25.0 64.24 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 172.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -93.59 -21.4 19.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.125 0.57 . . . . 0.0 111.741 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -109.41 52.38 0.72 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.4 p -62.77 7.8 0.07 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.693 1.597 . . . . 0.0 114.954 -173.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -129.79 -1.22 4.8 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.31 0.504 . . . . 0.0 111.125 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.87 -177.19 5.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.527 0.731 . . . . 0.0 110.728 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -123.45 -16.05 6.94 Favored 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 123.217 0.607 . . . . 0.0 111.413 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.8 mt 54.07 26.04 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.551 1.14 . . . . 0.0 111.778 173.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 61.93 -19.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.606 1.562 . . . . 0.0 114.209 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.9 m-20 -155.15 -28.13 0.11 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.491 1.116 . . . . 0.0 111.435 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 -1.39 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 117.677 0.217 . . . . 0.0 113.283 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -173.33 3.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.064 1.346 . . . . 0.0 110.88 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.66 16.4 3.62 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.16 0.73 14.62 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 175.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.61 156.01 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.985 0.914 . . . . 0.0 109.718 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -151.27 151.22 31.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.193 0.597 . . . . 0.0 109.542 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -147.5 158.8 44.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 109.596 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 -179.533 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -148.35 169.8 19.36 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.758 0.823 . . . . 0.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.3 t -147.1 116.65 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -79.14 150.83 31.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mt -129.77 -172.73 2.84 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.568 0.223 . . . . 0.0 110.69 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.66 -22.54 7.65 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.01 -0.884 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -158.56 173.4 16.67 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 119.045 1.422 . . . . 0.0 111.958 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.3 tt0 -58.71 -31.2 68.04 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.804 0.842 . . . . 0.0 110.438 174.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.0 -30.39 69.63 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 121.943 -0.473 . . . . 0.0 110.693 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.26 -39.38 54.53 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.303 -0.248 . . . . 0.0 110.701 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.6 -39.55 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtm -68.85 -28.69 66.95 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -27.74 62.36 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.392 0.542 . . . . 0.0 110.93 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -80.37 -15.48 56.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 122.836 0.455 . . . . 0.0 111.715 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.47 -8.85 36.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 24.97 3.76 Favored 'General case' 0 C--O 1.228 -0.079 0 CA-C-O 121.324 0.583 . . . . 0.0 110.713 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -48.09 -5.63 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -152.41 20.42 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.998 1.272 . . . . 0.0 113.103 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -70.76 -162.6 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 112.118 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 t -144.19 179.89 6.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.552 0.741 . . . . 0.0 110.997 -174.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtt -125.51 -7.51 6.9 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.548 0.739 . . . . 0.0 111.348 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.62 -4.03 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.343 -0.698 . . . . 0.0 113.722 175.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -147.33 -20.92 0.39 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.399 1.099 . . . . 0.0 112.099 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -158.73 153.72 25.13 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 0.4 OUTLIER -90.17 159.94 16.49 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -172.543 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.49 HD11 HD21 ' A' ' 18' ' ' LEU . 4.9 mm -126.64 162.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -175.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -147.46 159.09 44.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.442 0.639 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.11 152.32 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -154.92 150.07 27.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -71.81 149.69 45.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.397 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.3 t -141.21 -167.47 2.4 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.486 0.315 . . . . 0.0 111.032 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 3.2 p80 -145.29 -39.19 0.25 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.697 -173.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 126.38 -22.93 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.664 2.786 . . . . 0.0 112.299 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.8 m -69.68 -39.26 77.07 Favored 'General case' 0 C--O 1.23 0.039 0 CA-C-N 118.292 0.497 . . . . 0.0 110.581 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.4 -38.61 78.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -60.0 -46.58 89.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.96 -28.77 68.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -70.51 -57.16 5.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.742 0.417 . . . . 0.0 111.883 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.92 -23.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 119.611 -0.233 . . . . 0.0 111.319 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -8.01 13.37 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.297 0.499 . . . . 0.0 110.923 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 124.175 0.99 . . . . 0.0 111.412 -177.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.185 0.516 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.78 153.42 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.86 165.42 26.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.184 0.516 . . . . 0.0 110.696 176.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -102.54 157.82 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' C ' ' HD2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -138.71 140.68 38.83 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.67 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HD2' ' C ' ' A' ' 15' ' ' LEU . 1.2 mpt_? -145.17 147.57 32.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.83 -173.84 22.97 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.718 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.468 HD21 HD11 ' A' ' 83' ' ' ILE . 31.8 mt 63.43 162.65 0.12 Allowed Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.672 1.589 . . . . 0.0 113.797 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 63.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.525 1 C-N-CA 127.117 5.211 . . . . 0.0 116.581 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 55.58 8.29 0.3 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 113.653 174.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -160.7 156.29 25.22 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.375 0.67 . . . . 0.0 109.924 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -161.28 -179.15 7.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 109.981 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -139.11 162.92 33.76 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.018 0.527 . . . . 0.0 110.299 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -67.18 -16.81 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.75 -27.02 27.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.042 0.383 . . . . 0.0 111.593 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -80.48 -34.85 35.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.51 -39.42 70.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.773 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -71.75 -24.6 61.8 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.063 0.847 . . . . 0.0 110.866 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -25.44 63.74 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.445 0.298 . . . . 0.0 110.982 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -92.91 -25.87 17.86 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.467 0.307 . . . . 0.0 111.724 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 33' ' ' ASP . 2.0 mm? -106.44 50.43 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -64.79 20.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.217 1.407 . . . . 0.0 113.368 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 31' ' ' LEU . 24.6 m-20 -132.59 9.57 4.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.478 0.711 . . . . 0.0 110.857 -178.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.9 p -122.35 -166.14 1.37 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.896 0.478 . . . . 0.0 111.201 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.94 4.43 5.36 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 38' ' ' ASP . 2.7 mp 41.85 34.64 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 125.217 1.407 . . . . 0.0 111.751 -175.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.4 t60 62.17 -26.92 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.302 1.841 . . . . 0.0 114.25 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.5 m-20 -159.3 -22.93 0.07 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.298 1.439 . . . . 0.0 111.182 175.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.68 125.83 0.24 Allowed Glycine 0 C--N 1.338 0.661 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.8 11.91 0.16 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.821 0.848 . . . . 0.0 112.908 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 16.31 1.8 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.037 0.935 . . . . 0.0 111.392 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.09 4.63 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.82 160.54 5.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -151.24 156.77 41.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.57 0.348 . . . . 0.0 110.353 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -145.98 170.61 16.28 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.054 0.942 . . . . 0.0 108.684 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.649 HD11 ' CE2' ' A' ' 58' ' ' PHE . 45.6 mt . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.854 0.359 . . . . 0.0 111.806 -173.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.649 ' CE2' HD11 ' A' ' 46' ' ' ILE . 98.1 m-85 -139.56 168.57 19.52 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.792 1.237 . . . . 0.0 109.144 174.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -146.36 109.81 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -74.46 152.56 39.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.68 -176.56 4.08 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.53 -26.68 7.13 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.787 -1.007 . . . . 0.0 114.308 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.4 m -150.4 167.93 25.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.859 1.33 . . . . 0.0 112.138 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.4 tt0 -59.28 -31.46 69.13 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.891 0.476 . . . . 0.0 110.326 175.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.55 -26.31 66.24 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.444 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -77.08 -41.19 43.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.168 -0.332 . . . . 0.0 110.269 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.37 -40.27 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.06 -44.76 95.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 58.9 mtm -70.35 -26.26 63.65 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.93 -29.71 64.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.582 0.628 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.76 -16.27 55.9 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.308 0.643 . . . . 0.0 111.577 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.38 -8.13 30.41 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 25.96 4.56 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 118.489 0.586 . . . . 0.0 110.458 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -45.21 -17.2 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -140.85 21.85 2.3 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.71 1.595 . . . . 0.0 112.517 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.69 -168.2 0.17 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.679 0.752 . . . . 0.0 112.392 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.4 m -139.76 179.43 6.59 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.884 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.5 mtt -131.38 -31.07 1.65 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 123.934 0.894 . . . . 0.0 110.178 175.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 81' ' ' ARG . . . 139.29 139.77 3.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.7 m80 51.97 -1.27 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.37 1.468 . . . . 0.0 114.598 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.464 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 8.8 tpt180 -162.32 172.38 15.75 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.007 0.923 . . . . 0.0 109.325 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.464 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -134.81 167.05 21.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -172.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.468 HD11 HD21 ' A' ' 18' ' ' LEU . 3.4 mm -128.76 161.42 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.518 0.727 . . . . 0.0 110.093 -167.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -143.41 147.58 34.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.41 0.684 . . . . 0.0 110.449 -176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.66 154.25 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.364 0.665 . . . . 0.0 110.244 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -152.52 155.2 36.99 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.34 143.84 31.91 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 121.922 -0.486 . . . . 0.0 111.643 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.7 t -132.63 -177.39 4.46 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.916 -0.49 . . . . 0.0 111.818 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -146.09 6.4 1.01 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.543 0.737 . . . . 0.0 112.092 -174.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 81.14 -28.33 0.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.316 1.447 . . . . 0.0 113.006 171.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.5 m -69.64 -40.0 76.78 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.488 0.586 . . . . 0.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.06 -41.63 86.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.429 ' HG2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 tmm? -58.78 -45.96 88.64 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.377 0.423 . . . . 0.0 110.031 -177.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.83 -28.92 68.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -72.82 -56.23 5.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.42 -22.3 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 122.102 -0.374 . . . . 0.0 111.258 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.71 -5.1 14.4 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.213 0.461 . . . . 0.0 110.94 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.734 0.814 . . . . 0.0 112.338 -175.242 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.88 150.14 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.97 173.41 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 122.102 0.953 . . . . 0.0 110.703 173.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -123.08 139.92 53.57 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.473 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.507 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -124.21 144.38 49.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.992 0.517 . . . . 0.0 110.503 -169.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.507 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -151.55 92.68 1.79 Allowed 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 165.77 35.72 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.294 -1.432 . . . . 0.0 113.808 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 17.2 mt 69.42 164.45 0.13 Allowed Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.737 1.615 . . . . 0.0 112.49 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 93.6 Cg_exo -47.87 -167.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 1 C-N-CA 126.71 4.94 . . . . 0.0 115.423 172.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.33 1.01 0.09 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 t -151.06 159.9 44.24 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.893 0.769 . . . . 0.0 111.151 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -158.91 171.37 20.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.148 0.979 . . . . 0.0 109.23 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -143.14 160.46 40.38 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.048 0.539 . . . . 0.0 110.303 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.44 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -68.6 -16.44 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.442 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.72 -26.58 29.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.884 0.311 . . . . 0.0 111.596 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.99 -39.27 30.4 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -67.3 -39.59 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -71.41 -26.08 62.61 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.282 0.947 . . . . 0.0 111.447 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -23.83 62.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.659 0.208 . . . . 0.0 110.739 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 54.2 t80 -88.51 -34.93 17.25 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -83.93 54.56 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -56.61 154.09 9.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.482 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 59.18 -7.98 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.479 1.912 . . . . 0.0 114.115 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.3 m -86.67 -176.4 5.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.732 0.697 . . . . 0.0 110.379 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.1 m -131.32 152.28 50.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' HG22 ' A' ' 36' ' ' ILE . 28.2 mt -122.27 32.52 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 121.56 0.695 . . . . 0.0 110.278 -165.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 t60 63.62 -41.77 0.22 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 113.98 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -151.61 -7.7 0.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.41 1.084 . . . . 0.0 111.75 172.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 96.56 -121.67 7.09 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 4.42 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.893 0.877 . . . . 0.0 112.384 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -122.85 19.34 10.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.352 1.061 . . . . 0.0 110.82 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.18 0.05 4.73 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.05 156.6 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 117.311 0.555 . . . . 0.0 109.559 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 88.7 m-70 -152.65 160.38 43.17 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.599 0.759 . . . . 0.0 109.301 173.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.03 170.14 16.49 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.18 0.592 . . . . 0.0 109.708 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.525 HD11 ' CE2' ' A' ' 58' ' ' PHE . 8.9 mt . . . . . 0 C--N 1.339 0.124 0 CA-C-O 121.33 0.586 . . . . 0.0 111.359 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.437 0.637 . . . . 0.0 112.39 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CE2' HD11 ' A' ' 46' ' ' ILE . 97.4 m-85 -137.33 162.99 32.07 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.146 0.978 . . . . 0.0 108.393 172.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -145.14 110.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.73 149.52 39.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 mt -125.17 -163.97 1.24 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.411 0.284 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -120.36 -20.62 3.56 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.99 -175.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -150.25 168.12 24.97 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 118.887 1.344 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -32.75 71.61 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.306 0.643 . . . . 0.0 109.912 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.78 -29.85 69.91 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.717 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.65 -36.99 57.03 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -70.74 -38.46 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.5 -47.43 84.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.404 0.547 . . . . 0.0 110.195 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.3 mtm -65.71 -28.99 69.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.28 -26.51 61.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.127 0.422 . . . . 0.0 111.632 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.1 mt -82.06 -14.57 55.67 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.314 0.646 . . . . 0.0 111.951 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -68.2 -1.14 5.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -130.38 22.78 5.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 123.305 0.642 . . . . 0.0 110.523 -178.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -48.2 -9.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 28.5 ptt-85 -162.29 21.66 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.227 1.376 . . . . 0.0 113.52 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -72.67 -164.24 0.15 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.321 0.51 . . . . 0.0 110.783 174.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.507 ' C ' ' H ' ' A' ' 79' ' ' GLY . 78.6 p -119.76 -0.14 10.78 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -163.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 50.3 ttm 64.11 -24.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.937 1.295 . . . . 0.0 112.002 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 136.92 -20.64 3.41 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.775 0.702 . . . . 0.0 111.886 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -149.14 3.27 0.59 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.632 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 9.9 tpt180 -147.58 -132.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.054 0.843 . . . . 0.0 110.697 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.632 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.6 t80 -159.51 123.56 3.83 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 6.1 mm -122.26 168.28 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -148.25 151.49 35.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -145.43 150.33 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.88 161.13 41.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 171.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -68.27 155.91 38.76 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t -135.53 -179.95 5.96 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -154.09 18.96 0.5 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.939 -0.476 . . . . 0.0 111.827 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.6 ttm105 70.23 -35.49 0.32 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.575 1.55 . . . . 0.0 113.595 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.9 m -64.28 -37.73 88.54 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 119.188 0.904 . . . . 0.0 110.133 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -70.13 -41.22 74.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.5 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 60.3 ttp -60.55 -47.58 85.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.49 -28.64 69.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.352 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -79.76 -21.62 44.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.43 -10.66 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 118.323 0.511 . . . . 0.0 111.993 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -11.32 13.68 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.754 -0.591 . . . . 0.0 110.546 172.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm . . . . . 0 CA--C 1.533 0.319 0 C-N-CA 124.661 1.184 . . . . 0.0 111.384 174.44 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.525 0.202 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -144.63 15.56 1.6 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.515 0.726 . . . . 0.0 110.738 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.67 17.98 1.83 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.925 0.89 . . . . 0.0 110.922 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.24 -178.36 34.16 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.97 165.39 31.36 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.911 3.074 . . . . 0.0 111.659 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -147.25 176.19 10.18 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.186 0.994 . . . . 0.0 110.217 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.64 13.08 0.27 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.32 178.34 45.31 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.37 16.02 1.48 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.302 0.641 . . . . 0.0 111.161 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.55 168.31 30.99 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.8 m-30 -87.85 48.32 1.63 Allowed 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.553 0.741 . . . . 0.0 109.699 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.9 150.5 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 -177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.82 157.83 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 CA-C-O 121.301 0.572 . . . . 0.0 111.4 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.34 161.15 16.5 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.059 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.504 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -140.96 147.3 38.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' H ' HD13 ' A' ' 15' ' ' LEU . 35.6 ttm180 -154.13 147.24 24.65 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.62 -163.16 21.43 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 121.413 -0.422 . . . . 0.0 112.781 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 31.6 mt 66.62 174.29 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 124.807 1.243 . . . . 0.0 110.545 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 71.1 Cg_exo -51.61 177.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.902 3.068 . . . . 0.0 112.873 173.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.567 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 3.4 m95 -54.2 -18.17 3.58 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.009 -0.432 . . . . 0.0 112.068 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -147.62 160.15 42.98 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.592 0.757 . . . . 0.0 110.186 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 p -155.47 -174.27 4.9 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.086 0.954 . . . . 0.0 109.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.19 164.28 28.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.035 0.445 . . . . 0.0 110.786 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.441 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -65.33 -17.08 21.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 CA-C-N 116.368 -0.378 . . . . 0.0 112.007 -175.016 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.78 -25.66 35.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 117.806 0.276 . . . . 0.0 111.276 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.43 -39.21 32.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.04 -39.37 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.876 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -71.14 -26.06 62.84 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.951 0.796 . . . . 0.0 111.135 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -26.28 63.91 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.59 0.177 . . . . 0.0 110.911 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -83.64 -27.86 28.82 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.67 52.2 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 8.83 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.828 1.651 . . . . 0.0 114.816 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -124.79 5.08 8.11 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.1 0.56 . . . . 0.0 110.436 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.6 m -126.08 -177.0 3.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.452 0.701 . . . . 0.0 111.397 -170.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.7 m -130.96 142.4 50.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.4 mp -99.07 43.15 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.15 0.58 . . . . 0.0 109.684 -173.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 t60 63.1 -42.58 0.2 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.184 1.793 . . . . 0.0 113.978 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -148.58 -2.33 0.5 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.724 1.21 . . . . 0.0 110.843 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 98.29 -127.06 9.11 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.5 5.93 0.16 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.809 0.844 . . . . 0.0 112.201 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -119.07 16.74 13.3 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.402 1.081 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.55 3.08 2.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 p -73.61 160.08 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 117.493 0.646 . . . . 0.0 109.669 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -151.7 159.26 44.05 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.597 0.759 . . . . 0.0 109.575 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -149.23 169.95 19.59 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.603 0.761 . . . . 0.0 109.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 58' ' ' PHE . 9.0 mt -135.09 138.4 48.93 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -157.45 -179.08 7.84 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 122.889 0.475 . . . . 0.0 110.878 -173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.0 p -139.04 165.27 27.57 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 110.914 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -63.54 -21.01 66.1 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.123 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -55.72 -32.59 63.47 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.97 30.79 1.54 Allowed Glycine 0 CA--C 1.531 1.035 0 CA-C-O 119.165 -0.797 . . . . 0.0 114.629 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -156.0 163.61 39.49 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.851 1.326 . . . . 0.0 109.698 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -73.84 153.62 39.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -71.2 -19.61 62.37 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.73 1.0 21.42 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -140.87 169.01 18.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.416 0.627 . . . . 0.0 111.542 -172.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.6 -176.67 5.14 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.225 1.01 . . . . 0.0 110.107 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 46' ' ' ILE . 84.8 m-85 -139.2 165.98 25.74 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.1 t -143.7 110.74 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -72.14 151.89 42.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -131.42 -176.76 4.13 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.4 -33.09 6.06 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.193 -0.782 . . . . 0.0 113.904 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.5 m -151.83 171.26 18.02 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.329 1.064 . . . . 0.0 111.827 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 38.9 tt0 -60.06 -28.9 68.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.295 0.638 . . . . 0.0 110.79 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.78 -28.63 65.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.838 -0.539 . . . . 0.0 110.503 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.85 -37.09 56.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 122.258 -0.277 . . . . 0.0 110.618 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.25 -39.44 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.46 -46.13 91.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 118.261 0.482 . . . . 0.0 110.389 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.1 mtm -68.22 -25.84 65.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.29 64.77 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.338 0.517 . . . . 0.0 110.942 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 mt -79.25 -16.34 56.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 111.914 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.96 -6.85 24.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.09 28.32 3.47 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-O 121.302 0.572 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -44.82 -14.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.2 mtp-105 -148.02 21.96 1.1 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.111 1.323 . . . . 0.0 112.402 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -71.1 -166.29 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.642 0.656 . . . . 0.0 112.528 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -146.04 153.45 40.75 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.627 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.2 mtt -77.33 -24.31 50.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.6 -16.91 3.76 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.663 -0.521 . . . . 0.0 112.878 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -139.22 -5.72 1.43 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 117.816 0.808 . . . . 0.0 111.471 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 81' ' ' ARG . 11.9 tpt180 -155.51 163.5 39.93 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.409 ' C ' HD12 ' A' ' 83' ' ' ILE 0.275 0.1 OUTLIER -114.57 163.83 14.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.653 0.661 . . . . 0.0 112.705 -174.284 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 84' ' ' GLU . 4.8 mp -136.16 166.36 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -169.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 83' ' ' ILE . 14.3 mt-10 -142.91 147.56 35.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.636 0.774 . . . . 0.0 110.008 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.27 153.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.48 ' HB2' " H2'" ' B' ' 6' ' ' ' U' . 34.3 t80 -156.98 155.96 32.17 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -75.05 153.05 38.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.81 0.338 . . . . 0.0 110.583 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -142.69 -175.69 4.58 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.11 0.481 . . . . 0.0 111.178 -177.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -146.87 9.6 1.01 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.521 0.728 . . . . 0.0 111.53 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 74.9 -25.43 0.2 Allowed 'General case' 0 C--N 1.339 0.144 0 C-N-CA 125.476 1.51 . . . . 0.0 113.873 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.2 m -68.79 -38.96 80.35 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 118.756 0.707 . . . . 0.0 109.743 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.85 -37.5 79.16 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -58.28 -46.69 85.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -69.0 -30.02 68.34 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.456 0.302 . . . . 0.0 111.676 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -68.88 -19.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.431 0.692 . . . . 0.0 112.801 -176.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.0 -20.81 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 118.427 0.558 . . . . 0.0 111.62 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.82 -6.49 27.22 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.637 0.653 . . . . 0.0 111.426 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -136.89 12.19 3.12 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.514 0.726 . . . . 0.0 112.029 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -148.11 9.51 0.87 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.995 0.361 . . . . 0.0 111.853 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.9 p -58.47 152.8 17.23 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.011 -0.431 . . . . 0.0 111.231 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.87 174.38 45.9 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 C--O 1.251 1.126 0 C-N-CA 124.111 3.208 . . . . 0.0 111.085 179.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.528 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 N19-C1'-C2' 119.39 3.744 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.567 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.406 -3.885 1 P-O3'-C3' 124.954 4.378 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 O4'-C1'-N19 112.538 4.338 . 0.386 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 1 O4'-C1'-N19 112.89 4.69 . 0.065 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.503 " H4'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 C4'-C3'-C2' 100.835 -1.865 . 0.194 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.503 " H5'" " H4'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 O4'-C1'-N19 112.569 4.369 . 0.02 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.2 ptp -154.2 168.56 26.12 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.828 0.451 . . . . 0.0 110.477 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -145.12 167.71 22.08 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.03 0.932 . . . . 0.0 109.265 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.4 -179.89 44.51 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.26 174.29 10.99 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.547 3.498 . . . . 0.0 110.917 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -141.38 11.46 2.12 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.998 0.519 . . . . 0.0 111.855 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.96 7.13 0.38 Allowed Glycine 0 CA--C 1.527 0.821 0 O-C-N 122.003 -0.435 . . . . 0.0 112.725 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.27 179.81 45.38 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -141.56 10.68 2.06 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.19 0.495 . . . . 0.0 111.214 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.68 -7.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.353 -0.693 . . . . 0.0 114.101 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 56.08 44.46 25.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.399 1.08 . . . . 0.0 110.146 -175.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.64 151.41 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -139.68 159.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-O 121.123 0.487 . . . . 0.0 110.822 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -89.66 161.4 16.13 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.86 131.21 35.02 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -138.9 163.19 32.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -173.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.85 -141.29 15.51 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 20' ' ' TRP . 12.5 mt 71.13 160.96 0.16 Allowed Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 124.134 0.973 . . . . 0.0 109.847 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.54 30.66 0.24 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.987 3.125 . . . . 0.0 110.945 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.6 ' CH2' " O4'" ' B' ' 1' ' ' ' A' . 6.3 m0 52.43 27.83 5.3 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.067 0.947 . . . . 0.0 111.848 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.5 t -148.83 128.97 13.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.4 t -165.12 174.01 10.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.543 0.337 . . . . 0.0 110.519 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -136.65 162.49 33.0 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.17 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -66.33 -15.98 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -174.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -83.88 -26.19 29.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.835 0.289 . . . . 0.0 111.614 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.06 -34.35 32.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.7 -41.56 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.614 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -67.9 -25.92 65.73 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.786 0.721 . . . . 0.0 110.594 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -29.19 65.89 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.581 0.352 . . . . 0.0 111.478 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -82.87 -26.06 31.94 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -103.4 45.39 0.96 Allowed 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -59.71 -21.06 60.12 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.22 -20.49 32.21 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 119.029 0.831 . . . . 0.0 110.761 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.3 m -85.79 -177.3 6.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.211 1.004 . . . . 0.0 111.084 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 m -138.59 111.6 7.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp -69.36 140.45 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -46.56 -34.7 5.12 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.386 1.075 . . . . 0.0 113.611 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -152.28 9.61 0.49 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.244 0.617 . . . . 0.0 111.094 172.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.4 -119.98 5.69 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.0 2.48 0.52 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.066 0.946 . . . . 0.0 112.628 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.19 16.24 8.41 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.719 0.808 . . . . 0.0 110.862 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.98 -0.97 4.62 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.2 159.36 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -152.74 160.06 43.13 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.024 0.53 . . . . 0.0 110.091 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -148.28 172.43 14.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.136 0.974 . . . . 0.0 109.073 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 58' ' ' PHE . 42.5 mt -136.16 102.94 3.31 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -175.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -159.49 -174.89 4.88 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.724 0.809 . . . . 0.0 109.887 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.1 p -135.63 161.43 35.55 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 121.796 0.808 . . . . 0.0 112.075 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.54 3.36 6.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.196 1.398 . . . . 0.0 113.327 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -149.62 18.08 0.91 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.904 0.482 . . . . 0.0 111.393 -178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.52 -134.59 3.55 Favored Glycine 0 C--N 1.337 0.627 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 54' ' ' SER . 90.2 mmt-85 -143.03 177.33 8.44 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.707 0.803 . . . . 0.0 110.221 -175.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' A' ' 55' ' ' GLY . 27.8 tp60 -75.56 37.31 0.14 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.111 0.964 . . . . 0.0 110.109 175.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 52' ' ' ARG . 73.7 p -68.04 24.75 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.21 1.404 . . . . 0.0 112.879 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 53' ' ' GLN . . . -140.32 -164.46 9.91 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.251 -1.139 . . . . 0.0 110.251 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -112.64 -154.02 0.53 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.614 0.766 . . . . 0.0 109.916 -175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.68 175.65 12.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.666 0.386 . . . . 0.0 111.076 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.526 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.7 m-85 -140.9 168.12 20.55 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.421 0.689 . . . . 0.0 110.517 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.2 t -146.37 118.04 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.148 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -78.34 149.34 33.45 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -125.85 -172.98 2.73 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.258 0.481 . . . . 0.0 111.912 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.19 -26.11 8.51 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 119.132 -0.815 . . . . 0.0 113.935 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 t -159.85 174.09 14.97 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 118.695 1.248 . . . . 0.0 111.869 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 33.7 tt0 -59.72 -30.69 68.99 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.669 0.787 . . . . 0.0 110.547 175.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.81 -29.1 67.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.954 -0.466 . . . . 0.0 110.443 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -77.19 -37.01 54.45 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.506 -0.283 . . . . 0.0 110.636 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -69.34 -38.77 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.289 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.34 -47.0 87.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 118.269 0.486 . . . . 0.0 110.289 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.6 mtm -66.56 -28.9 68.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.39 -29.57 65.09 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.317 0.508 . . . . 0.0 110.975 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.6 mt -80.72 -14.35 58.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.181 0.592 . . . . 0.0 111.669 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -68.79 -8.45 43.42 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 28.21 3.65 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-O 121.272 0.558 . . . . 0.0 110.356 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -47.14 -10.47 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -155.35 28.02 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.88 1.218 . . . . 0.0 112.722 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.77 -160.53 0.09 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.652 0.739 . . . . 0.0 111.584 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -144.06 148.94 35.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 110.256 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.46 -12.9 61.63 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.87 -13.84 4.42 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -154.47 4.28 0.25 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.56 0.68 . . . . 0.0 112.753 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -150.2 140.49 22.25 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 119.053 0.842 . . . . 0.0 111.94 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.13 116.76 10.87 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.076 1.751 . . . . 0.0 110.221 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.4 mm -113.02 159.94 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -146.4 157.07 43.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.199 0.523 . . . . 0.0 111.611 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.83 148.26 19.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -148.63 152.77 37.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -70.85 149.17 47.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 122.036 -0.415 . . . . 0.0 111.09 -174.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -144.25 178.78 7.66 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.387 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -148.06 13.12 0.99 Allowed 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.232 0.613 . . . . 0.0 111.567 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 73.98 -25.83 0.19 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.558 1.543 . . . . 0.0 114.117 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.9 m -70.32 -38.92 75.03 Favored 'General case' 0 C--N 1.335 -0.039 0 CA-C-N 118.936 0.789 . . . . 0.0 109.622 176.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.9 -37.56 81.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.6 ttp -57.14 -47.63 80.66 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.01 -28.3 68.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.729 0.412 . . . . 0.0 111.769 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -73.4 -20.35 60.76 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.76 -17.81 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 118.229 0.468 . . . . 0.0 111.984 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -9.28 19.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.712 0.687 . . . . 0.0 111.469 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.84 -13.32 43.78 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.8 m170 145.43 -45.85 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 128.691 2.797 . . . . 0.0 109.479 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 101' ' ' GLY . 93.8 p -168.25 -7.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.294 0.638 . . . . 0.0 111.629 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 100' ' ' SER . . . 170.34 178.33 41.11 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 178.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 124.796 3.664 . . . . 0.0 112.905 177.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.6 " O4'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.416 -3.064 3 O4'-C1'-N19 117.142 8.942 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.796 2 C1'-O4'-C4' 103.016 -7.316 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C1'-O4'-C4' 106.207 -3.77 OUTLIER-DELTA 0.257 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.435 " H3'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.779 2 C5'-C4'-C3' 107.753 -5.165 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.491 " O3'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 110.867 2.667 . 0.201 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.491 " H3'" " O3'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.093 0 O4'-C1'-N19 111.63 3.43 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.536 ' HG3' ' H ' ' A' ' 4' ' ' GLY . 12.9 tpt -151.18 168.53 24.41 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -131.04 14.21 5.2 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.343 0.657 . . . . 0.0 111.765 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.536 ' H ' ' HG3' ' A' ' 2' ' ' MET . . . -174.23 168.94 41.88 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.16 -1.63 11.2 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 124.121 3.214 . . . . 0.0 112.107 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -69.85 -2.05 11.14 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.228 0.611 . . . . 0.0 111.922 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.38 176.88 45.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.61 179.87 48.8 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -142.64 14.18 1.95 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.807 0.443 . . . . 0.0 111.431 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.7 161.27 33.1 Favored Glycine 0 CA--C 1.525 0.694 0 O-C-N 122.018 -0.426 . . . . 0.0 112.246 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 9.9 m-85 -90.77 52.93 2.28 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.466 1.106 . . . . 0.0 109.911 178.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.429 HG21 ' CG ' ' A' ' 90' ' ' ARG . 90.9 t -133.59 153.33 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.18 157.88 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.356 0.598 . . . . 0.0 111.03 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -89.83 162.5 15.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.906 0.882 . . . . 0.0 108.662 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.25 138.08 33.0 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 -145.96 164.09 33.12 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.25 -134.58 12.2 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.41 159.07 0.16 Allowed Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 124.162 0.985 . . . . 0.0 110.773 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.21 -179.17 0.08 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 124.059 3.173 . . . . 0.0 112.21 171.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.59 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 0.0 OUTLIER -59.62 -8.94 2.21 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.154 -0.341 . . . . 0.0 111.664 176.053 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -152.72 159.16 43.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.474 0.71 . . . . 0.0 110.519 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 t -163.3 -178.77 6.14 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.802 0.441 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -146.93 168.15 22.19 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.229 0.538 . . . . 0.0 111.228 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.417 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -67.11 -15.1 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.062 -175.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -84.51 -27.13 27.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.905 0.32 . . . . 0.0 111.45 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -80.77 -34.91 33.85 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.006 0.366 . . . . 0.0 110.019 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.35 -41.69 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.71 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -69.91 -24.59 63.41 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.941 0.791 . . . . 0.0 110.998 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -26.77 63.83 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 122.153 0.181 . . . . 0.0 110.931 174.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.06 -35.94 17.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.48 67.99 7.64 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -53.66 150.64 6.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.867 0.867 . . . . 0.0 111.655 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 56.47 -3.39 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.447 1.899 . . . . 0.0 114.516 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.2 m -91.42 -176.53 4.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.681 0.673 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.2 m -137.11 152.23 49.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.3 mp -110.0 41.97 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 CA-C-O 121.378 0.608 . . . . 0.0 109.566 -174.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.5 t60 61.14 -27.34 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.199 1.799 . . . . 0.0 114.581 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' ILE . 24.3 m-20 -157.8 -27.23 0.08 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.37 1.468 . . . . 0.0 110.597 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.54 128.69 0.41 Allowed Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -174.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.99 10.8 0.12 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.886 0.874 . . . . 0.0 112.811 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.13 16.99 1.91 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.326 1.05 . . . . 0.0 111.206 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 5.03 2.05 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.01 160.19 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 117.495 0.647 . . . . 0.0 109.724 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 71.3 m-70 -152.35 160.25 43.34 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.763 0.825 . . . . 0.0 109.114 172.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -146.27 169.48 18.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.437 0.695 . . . . 0.0 109.51 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 58' ' ' PHE . 6.3 mt -137.43 144.91 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -158.68 -178.39 7.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.844 0.858 . . . . 0.0 109.226 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.1 p -141.33 171.9 13.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.952 0.501 . . . . 0.0 110.221 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -60.33 -23.92 64.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.445 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -166.84 95.42 0.51 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.871 0.868 . . . . 0.0 110.138 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.94 -58.05 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.145 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -161.2 175.91 11.83 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 117.626 0.713 . . . . 0.0 110.952 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -151.51 146.56 25.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.944 0.498 . . . . 0.0 109.743 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.8 p 36.34 49.08 0.64 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.128 1.371 . . . . 0.0 113.609 176.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.29 2.22 6.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 46' ' ' ILE . 55.9 tt0 -155.06 137.5 15.01 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . -165.25 -176.96 4.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.412 0.625 . . . . 0.0 112.457 -169.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CE2' HD11 ' A' ' 46' ' ' ILE . 99.9 m-85 -136.85 162.45 33.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.006 0.923 . . . . 0.0 108.936 172.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -144.0 104.86 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -70.18 152.84 43.82 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.8 -174.2 3.24 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.1 -22.62 9.11 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 119.117 -0.824 . . . . 0.0 114.044 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 t -160.3 173.36 15.8 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.849 1.325 . . . . 0.0 111.994 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.2 tt0 -59.32 -29.19 67.46 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.918 0.887 . . . . 0.0 110.524 175.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.06 -30.0 66.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.959 -0.463 . . . . 0.0 110.533 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -75.86 -36.74 59.48 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.243 -0.285 . . . . 0.0 110.788 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.6 -38.03 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.77 -46.65 87.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.268 0.485 . . . . 0.0 110.346 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 51.5 mtm -66.48 -27.19 67.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.3 -30.15 61.95 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.087 0.403 . . . . 0.0 111.043 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.7 mt -79.36 -14.48 58.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.084 0.554 . . . . 0.0 111.719 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -68.32 -7.46 31.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 27.68 3.98 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.362 0.528 . . . . 0.0 110.465 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.41 -11.96 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -150.8 23.93 0.77 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.246 1.384 . . . . 0.0 112.286 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -69.39 -164.53 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.583 -0.698 . . . . 0.0 112.161 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -142.71 178.91 7.31 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.388 0.675 . . . . 0.0 111.83 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 56.7 mtt -117.87 -12.63 10.15 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.133 0.573 . . . . 0.0 111.71 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.19 -21.67 4.57 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-O 119.724 -0.487 . . . . 0.0 112.861 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -142.18 -2.61 1.13 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.635 0.717 . . . . 0.0 111.64 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 12.5 tpt180 -155.95 166.65 32.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.452 ' CE1' ' C4 ' ' B' ' 3' ' ' ' G' 0.275 1.5 p90 -115.39 162.88 16.51 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.74 0.781 . . . . 0.0 112.538 -177.471 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 mm -130.55 165.61 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -169.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -147.31 151.17 36.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.624 0.25 . . . . 0.0 110.527 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.61 147.01 22.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -148.52 157.38 43.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -82.1 151.53 26.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.753 -0.592 . . . . 0.0 111.245 -173.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -141.26 -179.98 6.43 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.575 0.35 . . . . 0.0 111.677 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -152.29 17.17 0.64 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.342 0.657 . . . . 0.0 112.512 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' CG ' HG21 ' A' ' 12' ' ' VAL . 67.7 mtt85 74.3 -32.66 0.23 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.085 1.754 . . . . 0.0 113.939 174.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 37.1 m -62.64 -39.35 93.58 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 119.003 0.82 . . . . 0.0 110.239 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.01 -39.88 72.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.5 ttp -62.22 -40.97 97.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.535 0.334 . . . . 0.0 110.632 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.64 -28.37 66.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.361 0.265 . . . . 0.0 111.71 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -78.06 -63.74 1.32 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.14 -21.22 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -172.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.63 -12.69 35.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.408 0.549 . . . . 0.0 111.526 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -140.38 8.84 2.24 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.325 0.65 . . . . 0.0 112.601 -176.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -141.39 11.23 2.12 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.6 t -60.96 157.7 14.86 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.119 0.418 . . . . 0.0 110.562 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -178.09 -177.49 46.87 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.062 -1.308 . . . . 0.0 111.457 -0.22 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.59 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 N19-C1'-C2' 119.119 3.574 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.453 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.408 -3.731 2 C1'-O4'-C4' 105.313 -4.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.452 ' C4 ' ' CE1' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C1'-O4'-C4' 106.218 -3.758 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 O4'-C1'-N19 113.103 4.903 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.412 " O3'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C4'-C3'-C2' 100.747 -1.953 . 0.425 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.412 " H3'" " O3'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.622 2.866 0 C5'-C4'-O4' 113.782 3.273 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.2 ttt -150.28 158.22 43.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.038 0.535 . . . . 0.0 109.69 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 3' ' ' LEU . 2.0 pp -151.1 -179.5 7.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.37 0.668 . . . . 0.0 110.398 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.99 -176.31 42.32 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.63 -3.16 12.98 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 124.073 3.182 . . . . 0.0 111.946 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -153.15 177.19 11.1 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.244 0.617 . . . . 0.0 110.502 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.31 179.58 42.39 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.81 172.18 39.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -145.33 12.77 1.38 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.078 0.551 . . . . 0.0 111.262 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.76 158.07 29.89 Favored Glycine 0 CA--C 1.526 0.778 0 O-C-N 122.047 -0.408 . . . . 0.0 112.444 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.1 m-85 -89.41 56.59 3.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 124.427 1.091 . . . . 0.0 109.86 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -132.42 152.53 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.67 171.71 14.7 Favored 'Isoleucine or valine' 0 C--O 1.23 0.068 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -110.2 162.97 14.08 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 123.278 0.631 . . . . 0.0 109.362 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 138.43 37.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -148.02 148.48 30.76 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 124.974 1.31 . . . . 0.0 107.589 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.7 -177.25 22.59 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.336 -0.459 . . . . 0.0 112.381 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 83' ' ' ILE . 36.9 mt 59.08 154.69 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 125.17 1.388 . . . . 0.0 114.039 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.56 86.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 1 C-N-CA 125.835 4.357 . . . . 0.0 114.22 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 50.79 4.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 176.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -155.46 159.61 39.95 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 121.148 1.795 . . . . 0.0 113.223 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -161.22 171.97 17.5 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.99 1.316 . . . . 0.0 108.749 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -142.85 166.83 23.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.0 0.52 . . . . 0.0 110.324 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.77 -21.09 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.62 -24.9 33.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 119.691 -0.195 . . . . 0.0 111.152 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -83.79 -38.51 21.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.17 -35.2 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 119.799 -0.143 . . . . 0.0 110.776 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.12 -26.17 56.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.093 0.406 . . . . 0.0 110.326 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -15.99 62.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.235 0.614 . . . . 0.0 111.49 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -108.13 -26.93 10.38 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 7.8 mp -87.27 50.63 2.05 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 173.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.5 m -64.72 9.72 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.466 1.506 . . . . 0.0 113.883 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -134.89 6.28 3.4 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 123.276 0.63 . . . . 0.0 110.1 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 59.2 m -131.55 177.42 7.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.958 0.903 . . . . 0.0 110.981 -169.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.4 m -131.69 149.88 52.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 36' ' ' ILE . 24.6 mt -116.98 41.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.81 0.814 . . . . 0.0 109.481 -166.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.5 t60 60.62 -19.93 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.914 1.685 . . . . 0.0 113.896 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.6 m-20 -155.24 -36.97 0.09 Allowed 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 125.414 1.486 . . . . 0.0 109.472 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.9 -39.45 2.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 124.166 0.889 . . . . 0.0 111.473 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.69 11.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 110.422 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -127.77 16.63 6.9 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.225 0.61 . . . . 0.0 111.099 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.1 5.08 6.86 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.33 160.31 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 123.236 0.615 . . . . 0.0 109.913 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -151.84 161.62 42.36 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.725 0.81 . . . . 0.0 109.186 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -146.34 167.97 22.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.449 HD11 ' CE2' ' A' ' 58' ' ' PHE . 9.4 mt -129.73 141.34 46.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.095 -173.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -159.4 171.32 19.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.82 0.848 . . . . 0.0 109.78 -174.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.7 p -146.36 173.64 12.08 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 123.109 0.563 . . . . 0.0 110.356 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 1.4 9.28 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -160.65 38.72 0.16 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.429 0.633 . . . . 0.0 109.819 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.58 -127.9 5.11 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.22 11.17 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.301 0.641 . . . . 0.0 112.31 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 57.96 -5.33 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.365 1.866 . . . . 0.0 116.033 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -167.79 160.11 12.23 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 119.313 0.96 . . . . 0.0 110.636 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.25 -16.35 1.32 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 177.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -145.91 157.0 43.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.489 1.115 . . . . 0.0 109.284 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.56 174.58 11.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.413 0.625 . . . . 0.0 112.184 -174.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CE2' HD11 ' A' ' 46' ' ' ILE . 99.6 m-85 -132.18 162.77 30.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.16 0.984 . . . . 0.0 108.7 171.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.5 t -143.64 109.0 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.37 149.1 42.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -127.19 -171.38 2.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.734 0.302 . . . . 0.0 110.52 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.77 -32.19 5.16 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-O 119.223 -0.765 . . . . 0.0 113.499 -175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -152.42 170.51 19.94 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.284 1.042 . . . . 0.0 111.734 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.446 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.3 tt0 -59.03 -30.13 67.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.255 0.622 . . . . 0.0 110.557 175.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.5 -27.11 65.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.965 -0.459 . . . . 0.0 110.79 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.96 -38.03 38.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 122.025 -0.422 . . . . 0.0 110.575 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.77 -41.54 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -61.6 -45.84 92.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 117.919 0.327 . . . . 0.0 110.496 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.4 mtm -71.37 -27.34 63.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.96 68.61 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.607 0.639 . . . . 0.0 110.209 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.4 mt -78.81 -17.93 54.9 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.846 0.458 . . . . 0.0 111.231 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.3 -7.92 41.48 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 22.63 5.69 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.845 0.748 . . . . 0.0 111.273 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -48.44 -0.46 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -151.65 11.84 0.6 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.272 1.396 . . . . 0.0 111.83 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -71.99 -163.5 0.11 Allowed 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.702 0.763 . . . . 0.0 112.302 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.3 t -142.11 150.2 40.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.881 0.872 . . . . 0.0 110.071 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.7 mtt -74.79 -9.73 58.83 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.568 0.347 . . . . 0.0 110.497 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.53 -14.0 5.86 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -143.92 -9.01 0.7 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -158.07 145.66 18.32 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 118.925 0.784 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.15 139.06 50.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.383 1.873 . . . . 0.0 111.875 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.461 HD11 HD21 ' A' ' 18' ' ' LEU . 21.8 mm -128.46 165.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 125.263 1.425 . . . . 0.0 108.039 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 83' ' ' ILE . 12.5 mt-10 -143.8 153.41 42.36 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.731 0.301 . . . . 0.0 110.669 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 t -141.98 136.45 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.554 ' CE2' " H5'" ' B' ' 6' ' ' ' U' . 10.3 t80 -133.36 151.33 51.84 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -173.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -78.1 144.54 36.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.639 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -140.54 -179.2 5.89 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.737 0.415 . . . . 0.0 110.799 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -149.29 12.09 0.82 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.525 0.73 . . . . 0.0 111.52 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 76.48 -29.42 0.18 Allowed 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.658 1.583 . . . . 0.0 113.417 172.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.8 m -66.63 -38.75 87.56 Favored 'General case' 0 N--CA 1.459 0.023 0 CA-C-N 118.73 0.695 . . . . 0.0 110.124 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.73 -41.15 79.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -59.56 -45.08 92.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -29.97 70.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.478 0.311 . . . . 0.0 111.709 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -73.07 -57.59 3.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.32 -26.07 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -175.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.25 -7.43 42.18 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.785 0.721 . . . . 0.0 111.118 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -138.88 8.08 2.52 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -173.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -150.21 12.66 0.75 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.158 0.436 . . . . 0.0 112.03 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.1 p -58.9 157.44 9.79 Favored 'General case' 0 C--O 1.231 0.13 0 O-C-N 121.923 -0.486 . . . . 0.0 111.379 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 178.77 176.67 46.82 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo . . . . . 0 C--O 1.251 1.151 0 C-N-CA 124.955 3.77 . . . . 0.0 112.822 177.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 2 O4'-C1'-N19 115.438 7.238 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.585 0 C5'-C4'-C3' 112.055 -2.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.967 1 O4'-C1'-N19 112.63 4.43 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 1 O4'-C1'-N19 112.919 4.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.442 ' N3 ' " H2'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C4'-C3'-C2' 100.576 -2.124 . 0.093 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.554 " H5'" ' CE2' ' A' ' 86' ' ' PHE . . . . . . . . 0 P--O5' 1.621 2.812 0 C5'-C4'-C3' 110.256 -3.496 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 42.4 ttp -155.57 6.68 0.23 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.772 0.429 . . . . 0.0 111.273 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.1 tp -138.35 9.55 2.71 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.961 -0.462 . . . . 0.0 110.951 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.48 50.07 0.21 Allowed Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.516 -0.602 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.17 -2.41 8.87 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.951 2.434 . . . . 0.0 111.803 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -69.43 -16.69 63.54 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.846 0.458 . . . . 0.0 111.712 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.18 -13.47 0.37 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-O 119.515 -0.603 . . . . 0.0 113.832 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.08 172.88 45.08 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-N 118.653 1.226 . . . . 0.0 112.29 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' H ' ' HB3' ' A' ' 89' ' ' HIS . 63.6 mt-10 -140.21 21.15 2.42 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.398 0.679 . . . . 0.0 111.369 -173.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.35 169.42 23.06 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 4.7 m-30 -86.39 44.41 1.14 Allowed 'General case' 0 C--N 1.334 -0.074 0 C-N-CA 123.298 0.639 . . . . 0.0 109.497 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -132.08 149.14 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.87 159.15 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-O 121.381 0.61 . . . . 0.0 111.982 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -91.2 158.35 16.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.774 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.79 124.42 16.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -134.59 162.43 32.3 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 -147.57 16.29 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.943 -0.365 . . . . 0.0 112.27 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER 38.82 95.31 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 126.655 1.982 . . . . 0.0 114.555 177.464 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 20' ' ' TRP . 60.9 Cg_endo -69.7 111.38 2.78 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.739 2.959 . . . . 0.0 110.067 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 70.3 m95 -137.6 2.93 2.49 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 126.02 1.728 . . . . 0.0 110.672 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -158.61 165.63 34.01 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.073 0.549 . . . . 0.0 110.395 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.13 -173.19 4.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.891 0.876 . . . . 0.0 109.548 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -109.85 164.09 12.91 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -17.77 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.082 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -79.21 -24.94 42.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.669 0.388 . . . . 0.0 111.455 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.19 -38.72 26.59 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.37 -36.56 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.238 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.55 -26.36 61.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.46 0.573 . . . . 0.0 110.619 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -28.98 65.3 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 122.462 0.305 . . . . 0.0 110.992 176.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -85.46 -30.74 23.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.52 66.66 8.22 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 p -49.99 145.46 5.65 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.44 0.696 . . . . 0.0 111.477 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 56.58 -5.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.42 1.888 . . . . 0.0 114.893 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.4 m -76.7 176.25 8.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 119.306 0.957 . . . . 0.0 110.368 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -139.74 111.47 7.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' ' 36' ' ' ILE . 4.8 mp -72.76 145.08 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -51.16 -20.84 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -146.62 -15.16 0.43 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.463 0.574 . . . . 0.0 112.533 175.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.64 0.15 87.99 Favored Glycine 0 C--N 1.338 0.663 0 CA-C-N 118.494 0.588 . . . . 0.0 113.604 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 41' ' ' ALA . . . -179.9 0.07 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.971 1.308 . . . . 0.0 111.096 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 40' ' ' ALA . . . -133.81 12.73 4.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.447 0.299 . . . . 0.0 111.559 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.57 0.67 18.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.78 158.7 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -151.97 162.96 40.25 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.282 0.633 . . . . 0.0 109.315 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.92 168.63 23.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.674 0.789 . . . . 0.0 109.279 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.511 HD11 ' CE2' ' A' ' 58' ' ' PHE . 15.7 mt -130.85 129.24 63.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -157.59 -179.37 8.1 Favored 'General case' 0 N--CA 1.457 -0.086 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -172.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.7 p -139.85 170.5 15.75 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.814 0.845 . . . . 0.0 110.246 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -63.44 -18.69 64.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.256 0.622 . . . . 0.0 112.024 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.92 -30.03 70.55 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.6 42.59 4.78 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.558 -0.579 . . . . 0.0 113.719 171.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -147.45 27.45 1.01 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.283 1.042 . . . . 0.0 111.648 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 53.87 -171.17 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.2 1.0 . . . . 0.0 111.583 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -121.79 -10.77 8.67 Favored 'General case' 0 C--O 1.231 0.084 0 O-C-N 122.124 -0.36 . . . . 0.0 111.509 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.94 -24.72 3.11 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-O 119.743 -0.476 . . . . 0.0 112.841 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.55 -172.06 3.82 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 118.129 0.964 . . . . 0.0 112.877 -176.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.6 -175.79 5.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.978 1.311 . . . . 0.0 110.922 -171.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 46' ' ' ILE . 74.5 m-85 -139.54 167.7 21.49 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.058 0.543 . . . . 0.0 110.426 175.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 52.2 t -146.79 124.74 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.543 0.737 . . . . 0.0 109.332 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -84.97 150.01 25.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.51 -173.97 3.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.927 0.394 . . . . 0.0 111.189 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.38 -34.06 5.18 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.19 -0.784 . . . . 0.0 113.638 -175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.1 m -151.42 170.93 18.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 118.314 1.057 . . . . 0.0 111.918 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.5 tt0 -59.62 -29.63 68.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.193 0.597 . . . . 0.0 110.875 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.16 -26.34 64.82 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.911 -0.493 . . . . 0.0 110.648 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -80.21 -36.67 34.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.371 -0.206 . . . . 0.0 110.667 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -38.85 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.13 -45.99 92.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.173 0.442 . . . . 0.0 110.35 176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.9 mtm -67.83 -27.18 66.49 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.52 65.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.432 0.56 . . . . 0.0 110.859 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.4 mt -80.31 -12.97 59.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.204 0.602 . . . . 0.0 111.6 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.41 -5.5 28.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.87 25.36 4.31 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 118.521 0.601 . . . . 0.0 110.409 178.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -46.92 -10.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -152.67 29.31 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.286 1.403 . . . . 0.0 111.923 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.3 -166.44 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.002 -0.437 . . . . 0.0 111.026 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 79' ' ' GLY . 50.2 m -138.69 5.76 2.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.7 mtt 52.04 3.57 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.011 0.823 . . . . 0.0 112.625 -170.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 109.25 -16.18 32.52 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.025 -0.875 . . . . 0.0 113.201 177.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -149.26 5.69 0.65 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.843 1.322 . . . . 0.0 114.367 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.606 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 7.4 tpt180 -143.6 -129.22 0.09 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.373 0.988 . . . . 0.0 111.542 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.606 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -165.29 121.38 1.39 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 106.058 -1.83 . . . . 0.0 106.058 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -123.84 169.77 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' CD ' ' H21' ' B' ' 3' ' ' ' G' . 11.4 mt-10 -147.9 145.47 28.65 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 177.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -143.85 125.5 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -133.13 153.63 51.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.65 155.03 40.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -142.03 -178.25 5.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.075 0.464 . . . . 0.0 110.908 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.416 ' HB3' ' H ' ' A' ' 9' ' ' GLU . 12.0 p80 -145.05 9.34 1.27 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.556 0.743 . . . . 0.0 111.285 -176.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 76.71 -24.48 0.22 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.378 1.471 . . . . 0.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -70.59 -40.24 73.37 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.482 0.583 . . . . 0.0 109.706 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -36.62 80.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.2 ttp -58.18 -48.28 80.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.17 -30.59 69.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.638 0.375 . . . . 0.0 111.332 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -67.47 -20.46 65.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.468 0.707 . . . . 0.0 112.773 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.11 -20.09 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.317 0.508 . . . . 0.0 111.539 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.23 -7.22 28.62 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.731 0.696 . . . . 0.0 111.16 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -127.94 7.09 6.08 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.962 0.905 . . . . 0.0 111.959 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -142.53 19.86 2.03 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.568 0.747 . . . . 0.0 110.336 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.9 p -61.35 -12.96 16.02 Favored 'General case' 0 N--CA 1.458 -0.029 0 C-N-CA 124.018 0.927 . . . . 0.0 113.051 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.48 -178.79 45.58 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo . . . . . 0 C--O 1.253 1.228 0 C-N-CA 124.94 3.76 . . . . 0.0 112.972 178.359 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.542 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C5'-C4'-C3' 109.766 -3.823 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.418 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.41 -3.564 3 O4'-C1'-N19 113.642 5.442 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.414 ' H21' ' CD ' ' A' ' 84' ' ' GLU . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 O4'-C1'-N19 111.24 3.04 . 0.169 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 2 O4'-C1'-N19 112.975 4.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.716 " H2'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 111.28 3.08 . 0.149 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.716 " H3'" " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.621 2.849 0 C5'-C4'-O4' 113.911 3.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 43.9 ttm -151.41 20.26 0.74 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.935 0.494 . . . . 0.0 110.551 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.1 tp -138.71 40.04 2.19 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.745 0.818 . . . . 0.0 109.026 -176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 6' ' ' GLU . . . -169.21 -155.84 10.19 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -176.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.48 14.76 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.708 1 C-N-CA 126.133 4.555 . . . . 0.0 115.955 175.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 4' ' ' GLY . 53.5 mt-10 -134.3 0.1 3.05 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.022 0.828 . . . . 0.0 112.136 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.12 -171.88 43.66 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 118.432 0.56 . . . . 0.0 112.334 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.81 169.2 38.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -145.56 19.87 1.51 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.094 0.557 . . . . 0.0 111.3 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.65 168.79 19.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 6.9 m-30 -88.1 44.63 1.21 Allowed 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.473 0.709 . . . . 0.0 109.131 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.18 149.79 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.33 158.41 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 121.377 0.608 . . . . 0.0 111.133 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -90.35 156.47 18.23 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 176.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tp -141.67 144.24 34.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.503 ' HD3' " H1'" ' B' ' 6' ' ' ' U' . 35.5 mtp-105 -149.47 162.4 40.2 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.27 -165.66 12.28 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.486 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 83' ' ' ILE . 58.5 mt 62.08 173.17 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.324 0 C-N-CA 124.053 0.941 . . . . 0.0 111.44 -178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 97.3 Cg_exo -46.62 173.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 124.418 3.412 . . . . 0.0 113.764 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.585 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 16.8 m95 -58.99 -1.9 0.2 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.3 p -148.27 166.12 28.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.387 1.075 . . . . 0.0 109.87 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -156.92 176.76 12.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.65 0.38 . . . . 0.0 110.543 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -141.94 158.75 43.41 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.422 0.689 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' HA ' HG22 ' A' ' 27' ' ' VAL . 1.8 m -68.22 -19.36 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.326 0.651 . . . . 0.0 112.654 -173.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.83 -26.04 37.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.377 0.535 . . . . 0.0 111.448 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -80.92 -39.12 26.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 24' ' ' VAL . 27.7 m -67.19 -32.97 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.49 -25.83 38.56 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.696 0.68 . . . . 0.0 111.242 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -25.56 64.83 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.698 0.226 . . . . 0.0 110.84 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.472 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 36.3 t80 -88.55 -31.76 18.49 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.88 0.472 . . . . 0.0 111.885 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -90.98 61.97 4.78 Favored 'General case' 0 N--CA 1.457 -0.085 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -54.57 152.14 7.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.373 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.49 -5.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.076 1.75 . . . . 0.0 114.383 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.1 m -85.44 -175.71 5.79 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 119.096 0.862 . . . . 0.0 110.431 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 m -137.45 150.63 47.74 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.452 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.2 mp -112.88 42.07 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-O 121.326 0.584 . . . . 0.0 109.627 -173.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.9 t60 63.12 -42.91 0.2 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.222 1.809 . . . . 0.0 114.121 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -148.89 -2.07 0.48 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.899 1.28 . . . . 0.0 110.767 171.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 99.89 -128.49 9.59 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.219 -1.553 . . . . 0.0 109.219 -176.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.2 5.81 0.14 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.684 0.794 . . . . 0.0 112.164 175.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -117.53 16.47 14.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.291 1.036 . . . . 0.0 111.144 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.4 2.1 2.5 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.0 p -74.51 163.3 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 117.582 0.691 . . . . 0.0 109.552 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -150.67 152.57 34.16 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.769 0.427 . . . . 0.0 110.307 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.96 161.09 43.4 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.378 1.071 . . . . 0.0 108.673 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.56 121.44 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.42 -177.18 6.05 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.568 0.747 . . . . 0.0 110.804 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.5 p -139.54 173.52 11.45 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.22 0.608 . . . . 0.0 110.878 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -59.69 -21.19 60.25 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.348 0.659 . . . . 0.0 111.762 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.44 -20.71 32.24 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.44 19.73 24.59 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.116 -0.825 . . . . 0.0 114.773 172.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -146.07 165.22 29.72 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.75 1.275 . . . . 0.0 109.447 -177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -63.73 157.3 24.59 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.7 p -143.67 6.38 1.43 Allowed 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.211 0.604 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.56 22.02 0.13 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 50.57 -137.19 1.15 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.425 0.69 . . . . 0.0 110.9 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.41 -176.69 5.69 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -171.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -145.86 169.41 18.62 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 124.456 1.102 . . . . 0.0 109.207 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -145.26 108.69 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -70.99 152.42 43.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -130.91 -170.89 2.44 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -112.02 -26.1 4.51 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.915 -0.936 . . . . 0.0 113.808 -174.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.8 m -150.12 167.86 25.62 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 118.564 1.182 . . . . 0.0 111.632 -177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.7 tt0 -59.98 -30.29 69.02 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.019 0.527 . . . . 0.0 110.555 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.55 -25.68 64.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.723 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -77.69 -38.57 47.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.235 -0.291 . . . . 0.0 110.33 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -68.73 -38.73 79.26 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -59.59 -48.48 81.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.868 0.304 . . . . 0.0 110.192 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.3 mtm -66.67 -29.54 69.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.06 -28.48 63.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.389 0.541 . . . . 0.0 111.442 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.4 mt -80.09 -15.2 57.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.757 0.423 . . . . 0.0 111.716 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -67.04 -5.88 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.472 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.51 24.59 4.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 118.533 0.606 . . . . 0.0 110.54 -179.579 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.44 -19.87 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -149.96 6.43 0.6 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.306 1.412 . . . . 0.0 112.096 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -80.98 -167.35 1.38 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.229 0.468 . . . . 0.0 111.062 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.2 m -128.55 156.66 42.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.759 -169.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.5 mtt -67.15 -19.91 65.67 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.837 0.455 . . . . 0.0 110.642 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.23 -8.32 5.37 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -148.05 -11.2 0.38 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -152.59 146.75 25.45 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.937 0.789 . . . . 0.0 111.845 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.77 132.03 43.08 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.841 2.056 . . . . 0.0 111.098 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.593 ' CD1' HD21 ' A' ' 18' ' ' LEU . 3.7 mm -124.28 170.14 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.504 ' H ' HG22 ' A' ' 83' ' ' ILE . 11.5 mt-10 -145.16 148.07 33.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.197 0.199 . . . . 0.0 110.596 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.76 153.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 C-N-CA 123.63 0.772 . . . . 0.0 108.976 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.515 ' CB ' " H2'" ' B' ' 6' ' ' ' U' . 26.5 t80 -158.83 152.65 23.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -71.72 149.84 45.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.0 t -139.46 -178.63 5.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.241 0.543 . . . . 0.0 111.316 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -145.63 8.83 1.16 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.855 0.862 . . . . 0.0 111.198 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 77.58 -25.28 0.2 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.403 1.481 . . . . 0.0 113.567 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.3 m -69.17 -39.48 78.72 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 118.703 0.683 . . . . 0.0 110.04 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -68.14 -40.82 82.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -59.56 -46.62 88.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -65.04 -31.59 72.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.533 0.333 . . . . 0.0 111.751 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -70.04 -49.89 46.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.405 ' H ' HG12 ' A' ' 96' ' ' VAL . 5.8 p -80.64 -18.23 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 117.92 0.327 . . . . 0.0 111.256 -176.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.61 -3.38 27.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.564 -0.71 . . . . 0.0 110.833 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -137.6 3.81 2.56 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.611 0.765 . . . . 0.0 112.145 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -157.98 164.26 36.98 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.081 0.552 . . . . 0.0 109.566 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.8 p -154.97 162.89 40.96 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.986 0.422 . . . . 0.0 110.9 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.52 -178.71 47.05 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 124.873 3.715 . . . . 0.0 112.697 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.56 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C5'-C4'-C3' 109.837 -3.775 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.585 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.405 -3.96 3 C1'-O4'-C4' 105.449 -4.612 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.421 ' H21' ' CD ' ' A' ' 84' ' ' GLU . . . . . . . . 0 O4'--C4' 1.424 -2.41 1 O4'-C1'-N19 113.808 5.608 . 0.4 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.492 " H2'" " H5'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 111.889 3.689 . 0.17 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.492 " H5'" " H2'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 C4'-C3'-C2' 97.615 -5.085 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.515 " H2'" ' CB ' ' A' ' 86' ' ' PHE . . . . . . . . 0 O4'--C4' 1.423 -2.46 1 O4'-C1'-N19 113.163 4.963 . 0.397 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.7 tpt -147.79 7.4 0.84 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.128 0.571 . . . . 0.0 110.534 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.25 -14.93 62.72 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.168 0.587 . . . . 0.0 111.939 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.72 179.45 48.83 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.35 -178.18 3.49 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.689 3.593 . . . . 0.0 111.147 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -149.02 155.57 40.98 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.024 0.53 . . . . 0.0 109.813 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.58 -178.11 48.35 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.0 39.8 0.1 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -133.99 20.59 3.79 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 117.456 0.628 . . . . 0.0 111.779 -174.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.58 -4.12 25.09 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-O 119.704 -0.498 . . . . 0.0 112.893 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 55.49 47.08 21.79 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.35 1.06 . . . . 0.0 110.011 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.0 t -129.61 153.91 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.89 155.71 27.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.404 0.621 . . . . 0.0 111.061 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -88.56 161.24 17.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.907 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.84 142.86 38.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -144.25 160.33 41.16 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.97 -157.95 19.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 87.76 159.29 0.09 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.896 1.678 . . . . 0.0 111.924 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.88 40.44 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.705 1 C-N-CA 128.05 5.833 . . . . 0.0 117.081 173.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.529 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 3.9 m95 61.65 9.68 2.93 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.386 1.075 . . . . 0.0 113.004 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -159.47 159.05 33.08 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.318 0.647 . . . . 0.0 109.678 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 t -165.29 174.17 10.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.021 0.528 . . . . 0.0 110.371 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.6 m -143.29 159.79 41.69 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 124.048 0.939 . . . . 0.0 108.636 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG13 ' H ' ' A' ' 24' ' ' VAL . 1.7 m -64.92 -21.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.074 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.6 -25.81 35.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.067 0.394 . . . . 0.0 111.541 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -81.87 -33.53 30.53 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.153 0.433 . . . . 0.0 110.476 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -72.62 -38.79 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.407 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -75.49 -20.52 58.72 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.638 0.654 . . . . 0.0 111.012 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -29.91 67.61 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.243 -0.286 . . . . 0.0 110.522 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -85.72 -19.97 30.03 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.574 0.35 . . . . 0.0 111.364 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.46 61.89 1.05 Allowed 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.907 0.883 . . . . 0.0 108.89 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 m -53.02 146.3 11.38 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 122.926 0.491 . . . . 0.0 110.838 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 60.02 -6.03 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.026 1.73 . . . . 0.0 114.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -77.54 -176.97 4.51 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 119.067 0.849 . . . . 0.0 110.306 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -134.66 155.03 51.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.516 ' C ' ' H ' ' A' ' 38' ' ' ASP . 16.6 mm -114.38 29.37 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 123.116 0.567 . . . . 0.0 110.088 -170.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.9 t60 59.44 -18.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.148 1.379 . . . . 0.0 113.651 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' ILE . 26.7 m-20 -153.43 -28.39 0.14 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.863 1.265 . . . . 0.0 110.997 177.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.55 -6.78 33.81 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 122.989 0.328 . . . . 0.0 113.356 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -177.65 4.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 125.236 1.414 . . . . 0.0 110.806 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -127.51 17.61 6.96 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -175.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.53 2.18 11.22 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.37 156.8 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.772 0.829 . . . . 0.0 110.199 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -153.57 162.61 41.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.944 0.898 . . . . 0.0 108.901 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -147.98 165.62 30.17 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.581 0.752 . . . . 0.0 109.2 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 58' ' ' PHE . 21.6 mt -133.84 130.13 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -154.23 179.42 8.99 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.877 0.871 . . . . 0.0 109.88 -175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.4 p -140.35 173.47 11.48 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.178 0.514 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -17.92 58.72 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.749 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.33 -42.74 74.21 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.073 0.549 . . . . 0.0 111.973 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.5 2.65 3.97 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 118.474 -1.181 . . . . 0.0 115.819 172.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -146.32 168.24 21.59 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 119.895 1.847 . . . . 0.0 109.689 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -63.65 146.69 53.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 m -71.04 -19.15 62.53 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.161 0.184 . . . . 0.0 111.137 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.47 1.19 9.26 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -142.37 167.14 22.81 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.63 0.729 . . . . 0.0 112.007 -174.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.72 -179.22 5.74 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.814 1.245 . . . . 0.0 109.599 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 46' ' ' ILE . 93.3 m-85 -141.6 162.99 34.13 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.028 0.442 . . . . 0.0 110.665 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -145.96 115.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.569 0.748 . . . . 0.0 109.185 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.16 149.06 35.64 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.1 mt -126.03 -172.82 2.7 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.726 0.298 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.19 -23.02 8.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.905 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 t -158.87 173.54 16.36 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 118.69 1.245 . . . . 0.0 111.903 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 35.6 tt0 -59.39 -29.99 68.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.888 0.875 . . . . 0.0 110.522 175.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.15 -30.3 68.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.99 -0.444 . . . . 0.0 110.613 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -75.83 -37.77 58.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.323 -0.236 . . . . 0.0 110.58 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.3 p -70.39 -38.84 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.52 -47.94 83.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.214 0.461 . . . . 0.0 110.05 175.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.2 mtm -63.69 -27.91 69.54 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -75.46 -29.04 59.51 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.145 -0.347 . . . . 0.0 111.569 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.9 mt -79.86 -12.54 59.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.667 0.387 . . . . 0.0 111.797 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.73 -10.7 59.35 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -132.44 32.54 3.91 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 118.614 0.643 . . . . 0.0 110.688 -179.467 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -52.15 -7.4 0.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 -173.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -158.96 28.48 0.21 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 120.081 1.31 . . . . 0.0 112.414 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.03 -156.42 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.394 0.616 . . . . 0.0 111.315 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.423 ' HA ' HG12 ' A' ' 83' ' ' ILE . 34.3 t -139.73 141.34 36.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.779 0.832 . . . . 0.0 110.225 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 52.3 mtt -71.01 -12.94 61.81 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.38 -7.43 5.95 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -151.86 -7.64 0.22 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -153.95 155.57 35.86 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 119.434 1.015 . . . . 0.0 112.276 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.11 131.19 44.97 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.595 1.958 . . . . 0.0 109.672 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 77' ' ' SER . 4.2 mm -122.11 167.23 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -150.08 150.68 32.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -147.41 119.71 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -127.92 158.88 36.6 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -77.1 151.39 35.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 121.951 -0.468 . . . . 0.0 110.796 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 t -142.88 179.37 7.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 111.678 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -147.68 -10.67 0.4 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 103.41 -27.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.675 2.39 . . . . 0.0 111.858 173.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -66.97 -41.19 87.28 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.281 0.491 . . . . 0.0 110.322 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.72 -35.83 70.31 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 61.1 ttp -63.43 -38.71 92.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 122.44 0.296 . . . . 0.0 110.359 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.67 -27.28 62.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.132 -0.355 . . . . 0.0 111.473 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -78.38 -63.32 1.43 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.92 -18.45 21.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 122.165 -0.334 . . . . 0.0 111.805 -173.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.77 -8.44 21.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.439 0.563 . . . . 0.0 110.832 173.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -137.19 8.86 2.96 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.963 0.905 . . . . 0.0 111.93 -177.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -142.77 24.12 1.88 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.402 0.681 . . . . 0.0 110.662 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.4 p -62.64 -10.27 11.83 Favored 'General case' 0 C--O 1.23 0.072 0 C-N-CA 123.517 0.727 . . . . 0.0 112.887 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.88 179.07 47.22 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo . . . . . 0 C--O 1.25 1.094 0 C-N-CA 124.249 3.299 . . . . 0.0 111.205 179.555 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.529 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.418 -2.935 3 C3'-C2'-C1' 97.179 -4.801 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.477 " H1'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.497 2 O4'-C1'-N19 115.358 7.158 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 111.256 3.056 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.404 " O2'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.241 1 O4'-C1'-N19 114.994 6.794 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.444 " H2'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.644 2 O4'-C1'-N19 113.445 5.245 . 0.036 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.444 " H3'" " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C5'-C4'-O4' 113.83 3.307 . 0.205 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.1 mtm . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 tpt -152.05 152.92 33.01 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -157.55 170.28 22.77 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.984 0.514 . . . . 0.0 110.844 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.44 172.46 38.92 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.97 -22.67 25.28 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 124.126 3.218 . . . . 0.0 113.09 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.03 3.28 2.82 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.617 0.767 . . . . 0.0 112.643 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.6 -12.68 27.8 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 123.24 0.447 . . . . 0.0 112.615 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.72 161.4 25.96 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 117.761 0.78 . . . . 0.0 111.606 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -149.29 12.76 0.84 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.68 0.792 . . . . 0.0 111.055 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.9 -0.63 48.71 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.774 -0.459 . . . . 0.0 113.262 -173.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 57.82 39.64 26.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.214 1.005 . . . . 0.0 110.011 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -125.41 149.99 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.73 156.24 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-O 121.095 0.474 . . . . 0.0 110.812 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -86.55 159.76 19.16 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -142.34 142.71 32.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' N ' HD13 ' A' ' 15' ' ' LEU . 66.0 mtt180 -148.76 152.4 36.5 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.17 170.58 20.25 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.436 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.449 HD21 HD11 ' A' ' 83' ' ' ILE . 14.3 mt 61.76 156.55 0.11 Allowed Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 125.27 1.428 . . . . 0.0 112.635 178.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.9 72.6 0.74 Allowed 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 124.401 3.401 . . . . 0.0 111.776 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.599 ' CH2' " O4'" ' B' ' 1' ' ' ' A' . 2.5 m-90 48.35 35.06 5.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.424 1.09 . . . . 0.0 113.446 177.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -147.37 132.69 18.5 Favored 'General case' 0 CA--C 1.527 0.077 0 O-C-N 122.032 -0.417 . . . . 0.0 110.193 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.9 t -166.76 171.15 11.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.371 0.668 . . . . 0.0 109.717 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -145.34 170.44 16.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.198 0.599 . . . . 0.0 109.927 174.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.55 -17.78 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.429 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.21 -26.98 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 117.727 0.24 . . . . 0.0 111.08 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -77.75 -36.39 50.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.81 -39.88 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.959 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -70.66 -23.77 62.57 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.774 0.716 . . . . 0.0 110.821 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.22 64.09 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.42 0.288 . . . . 0.0 111.14 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -85.24 -31.25 23.25 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -95.85 52.23 1.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.1 p -62.32 9.02 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.709 1.604 . . . . 0.0 114.808 -174.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -126.07 7.19 7.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.079 0.552 . . . . 0.0 110.537 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.4 m -128.16 -177.11 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.38 0.672 . . . . 0.0 111.283 -170.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.0 m -133.31 134.64 44.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.4 mp -89.16 41.49 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.001 0.92 . . . . 0.0 110.081 -174.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.8 t60 62.96 -39.66 0.17 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.993 1.717 . . . . 0.0 114.025 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -149.49 -8.71 0.32 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.817 1.247 . . . . 0.0 111.321 172.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 104.8 -127.58 9.12 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -176.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.88 4.0 0.2 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.664 0.786 . . . . 0.0 112.013 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -115.14 17.05 16.9 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.376 1.071 . . . . 0.0 111.095 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.03 3.18 2.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.88 157.46 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 117.565 0.682 . . . . 0.0 109.919 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -152.86 162.85 40.77 Favored 'General case' 0 N--CA 1.458 -0.062 0 C-N-CA 123.562 0.745 . . . . 0.0 109.554 172.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -145.66 171.44 14.72 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.725 0.81 . . . . 0.0 109.363 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.664 HD11 ' CE2' ' A' ' 58' ' ' PHE . 10.3 mt -136.23 70.93 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 CA-C-O 121.481 0.658 . . . . 0.0 110.968 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.34 -164.92 2.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.6 p -134.28 160.92 36.4 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.828 0.823 . . . . 0.0 112.593 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -71.13 8.04 1.08 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.366 1.466 . . . . 0.0 112.795 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -147.85 17.84 1.12 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.748 0.819 . . . . 0.0 109.06 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.61 -150.9 7.68 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -156.25 7.97 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.189 0.995 . . . . 0.0 110.681 -169.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.25 10.91 0.67 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -171.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.5 t -65.36 60.38 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.211 1.404 . . . . 0.0 112.523 175.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.68 9.42 3.69 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HG2' HD12 ' A' ' 46' ' ' ILE . 43.3 tt0 -148.4 144.35 27.42 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.281 1.432 . . . . 0.0 107.301 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.63 -175.18 4.32 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.14 0.495 . . . . 0.0 112.229 -170.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.664 ' CE2' HD11 ' A' ' 46' ' ' ILE . 97.5 m-85 -136.98 163.43 30.72 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.321 1.048 . . . . 0.0 108.883 173.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG13 HG23 ' A' ' 36' ' ' ILE . 47.9 t -145.05 108.41 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.53 149.54 42.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 mt -128.29 -177.08 4.01 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.052 0.453 . . . . 0.0 111.456 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.8 -35.45 6.43 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 119.186 -0.785 . . . . 0.0 113.688 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -152.19 172.64 16.06 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 118.303 1.052 . . . . 0.0 111.782 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 32.4 tt0 -59.01 -31.64 69.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.002 0.521 . . . . 0.0 110.778 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.88 -28.26 68.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.871 -0.518 . . . . 0.0 110.754 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -77.59 -39.69 44.74 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.348 -0.22 . . . . 0.0 110.633 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 1.1 p -68.64 -40.18 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -61.34 -44.88 96.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.2 mtm -70.66 -26.46 63.46 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.69 67.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.407 0.549 . . . . 0.0 110.653 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.3 mt -76.86 -18.58 58.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.085 0.554 . . . . 0.0 111.705 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -65.64 -7.88 17.49 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 26.88 3.84 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 121.426 0.631 . . . . 0.0 110.716 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -47.2 -6.63 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -155.81 27.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 120.229 1.377 . . . . 0.0 112.733 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -73.41 -157.55 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.597 0.713 . . . . 0.0 111.805 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.4 t -145.25 151.88 39.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.93 0.892 . . . . 0.0 110.057 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.8 mtt -72.54 -11.92 60.86 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.422 0.289 . . . . 0.0 110.373 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.6 -11.87 5.99 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -145.27 -8.47 0.59 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -158.01 146.47 18.99 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.159 0.891 . . . . 0.0 112.092 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.28 128.77 37.65 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 127.156 2.183 . . . . 0.0 111.466 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.449 HD11 HD21 ' A' ' 18' ' ' LEU . 23.8 mm -124.32 162.98 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' N ' HG22 ' A' ' 83' ' ' ILE . 23.8 mt-10 -147.13 158.62 44.0 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.05 0.453 . . . . 0.0 111.777 -179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.24 155.07 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -156.01 155.0 31.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -76.88 151.26 35.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 121.845 -0.535 . . . . 0.0 111.066 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -145.6 179.39 7.46 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.637 0.375 . . . . 0.0 110.837 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -147.68 12.66 1.02 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.117 0.567 . . . . 0.0 111.858 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 75.43 -26.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.232 1.413 . . . . 0.0 113.584 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.2 m -69.56 -39.38 77.44 Favored 'General case' 0 N--CA 1.458 -0.05 0 CA-C-N 118.775 0.716 . . . . 0.0 109.758 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.15 -36.24 79.36 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.467 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 61.4 ttp -57.75 -47.99 80.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.33 -29.66 68.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.805 0.335 . . . . 0.0 111.268 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -71.28 -20.39 62.22 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -122.79 -13.06 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 118.163 0.438 . . . . 0.0 111.566 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.94 -2.3 14.73 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.608 0.64 . . . . 0.0 110.262 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -124.81 5.19 8.09 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.465 1.106 . . . . 0.0 111.069 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -146.11 28.24 1.13 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.587 1.155 . . . . 0.0 109.031 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 m -61.29 -6.52 2.21 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -174.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' H ' ' HD2' ' A' ' 102' ' ' PRO . . . -174.71 -52.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 CA-C-O 118.924 -0.931 . . . . 0.0 112.156 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 101' ' ' GLY . 72.2 Cg_endo . . . . . 0 C--O 1.25 1.099 0 C-N-CA 122.748 2.299 . . . . 0.0 111.037 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.599 " O4'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -3.035 3 O4'-C1'-N19 116.712 8.512 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.502 2 C1'-O4'-C4' 103.432 -6.854 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 2 O4'-C1'-N19 112.759 4.559 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 C5'-C4'-C3' 109.511 -3.992 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.414 ' N3 ' " C3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 112.092 -2.272 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.414 " C3'" ' N3 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.865 1 P-O3'-C3' 126.139 5.366 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 120.332 0.11 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.9 mtt -141.97 174.63 10.41 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.374 0.67 . . . . 0.0 110.376 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.73 -5.1 22.93 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.298 0.639 . . . . 0.0 111.817 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.86 178.23 48.38 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.02 172.46 14.63 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 124.062 3.175 . . . . 0.0 111.113 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -65.74 -12.21 51.97 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.084 0.554 . . . . 0.0 112.183 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.45 177.23 43.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.67 20.95 0.06 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.62 11.53 2.49 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.531 0.732 . . . . 0.0 112.312 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.15 163.21 30.49 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.8 -0.52 . . . . 0.0 111.8 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 -88.83 54.18 2.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.041 0.937 . . . . 0.0 109.869 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -133.74 151.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.6 160.16 27.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.231 0.539 . . . . 0.0 111.065 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -90.58 164.47 14.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.403 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -143.06 139.66 30.61 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.025 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' N ' HD13 ' A' ' 15' ' ' LEU . 97.1 mtt180 -144.82 150.81 37.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.476 ' HA2' ' N1 ' ' B' ' 3' ' ' ' G' . . . 130.98 -157.83 22.39 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 121.321 -0.466 . . . . 0.0 113.756 172.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 18' ' ' LEU . 2.1 mm? 61.33 150.63 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 125.909 1.684 . . . . 0.0 111.941 -175.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -41.79 -53.32 3.43 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.746 3.631 . . . . 0.0 113.921 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.517 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 1.5 m95 -159.29 -8.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.401 0.681 . . . . 0.0 111.414 175.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -156.07 169.03 25.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.316 0.507 . . . . 0.0 110.687 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 t -156.11 177.42 11.44 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.799 0.839 . . . . 0.0 109.001 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -137.42 160.29 39.51 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 122.992 0.517 . . . . 0.0 109.609 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.04 -19.17 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -85.44 -26.31 26.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.968 0.349 . . . . 0.0 111.456 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -81.67 -35.77 29.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -69.36 -40.17 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.055 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -71.1 -23.75 62.16 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.835 0.743 . . . . 0.0 111.113 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -25.22 63.3 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.251 0.22 . . . . 0.0 111.132 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -89.29 -34.43 16.59 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.28 61.34 6.77 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.434 0.561 . . . . 0.0 109.994 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 m -54.51 152.08 7.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.023 0.529 . . . . 0.0 111.186 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 62.75 -14.48 0.06 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.552 1.941 . . . . 0.0 114.038 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.3 m -80.21 178.73 8.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.831 0.741 . . . . 0.0 110.68 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.1 m -136.2 152.11 50.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 36' ' ' ILE . 35.7 mt -121.51 41.37 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 CA-C-O 121.742 0.782 . . . . 0.0 110.282 -164.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.8 t60 63.78 -29.0 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.06 1.744 . . . . 0.0 114.201 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.3 m-20 -158.25 -26.97 0.08 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.124 1.37 . . . . 0.0 110.998 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.4 131.48 0.3 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -172.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.34 9.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.786 0.834 . . . . 0.0 112.9 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.58 18.05 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.186 0.995 . . . . 0.0 111.238 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.94 6.19 4.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.82 158.18 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.146 0.578 . . . . 0.0 109.896 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -153.04 157.67 40.83 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.102 0.561 . . . . 0.0 110.304 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -145.76 172.91 12.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.299 1.04 . . . . 0.0 108.622 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.543 HD11 ' CE2' ' A' ' 58' ' ' PHE . 34.3 mt -134.48 73.79 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.069 0 CA-C-O 121.578 0.704 . . . . 0.0 110.256 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 53' ' ' GLN . 5.0 p90 -156.81 -175.85 5.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.971 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.7 p -142.3 -168.84 2.82 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.051 0.453 . . . . 0.0 111.834 -172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -53.59 -18.22 2.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.049 0.939 . . . . 0.0 111.981 175.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -57.1 -35.55 69.57 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.707 0.403 . . . . 0.0 111.181 173.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.49 -2.59 27.85 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.606 -1.108 . . . . 0.0 115.431 170.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -172.87 -21.73 0.01 OUTLIER 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.434 1.617 . . . . 0.0 111.31 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 47' ' ' TYR . 4.6 tp60 46.69 -139.59 0.54 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.287 1.035 . . . . 0.0 111.835 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 76.6 p -144.76 24.14 1.53 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.359 1.063 . . . . 0.0 110.396 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.28 -162.52 13.08 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 123.597 0.618 . . . . 0.0 111.708 -176.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -129.69 -135.33 0.22 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.097 0.959 . . . . 0.0 109.715 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.01 179.67 8.27 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.091 0.859 . . . . 0.0 113.26 -174.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.2 m-85 -142.65 170.45 15.67 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.487 1.115 . . . . 0.0 109.617 175.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -147.26 118.52 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 123.659 0.784 . . . . 0.0 108.907 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -76.91 154.29 33.83 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.28 -173.7 3.23 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.11 -21.32 7.44 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.12 -0.822 . . . . 0.0 114.064 -173.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -158.1 171.53 20.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.765 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 33.0 tt0 -59.16 -29.67 67.6 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.929 0.892 . . . . 0.0 110.511 175.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -70.73 -28.02 64.4 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.902 -0.499 . . . . 0.0 110.584 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -78.03 -36.66 48.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.201 -0.312 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.03 -38.33 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.87 -46.99 87.03 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.244 0.474 . . . . 0.0 110.289 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.3 mtm -66.76 -28.28 68.28 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.11 -29.51 64.16 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 118.262 0.483 . . . . 0.0 111.18 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.24 -15.2 57.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.166 0.586 . . . . 0.0 111.811 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.46 -7.92 29.3 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 27.71 3.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.251 0.548 . . . . 0.0 110.55 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -46.65 -11.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -155.82 29.02 0.37 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.881 1.219 . . . . 0.0 112.504 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.27 -158.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.596 0.713 . . . . 0.0 111.687 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.3 t -144.99 150.52 37.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.857 0.863 . . . . 0.0 110.089 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.67 -13.1 61.64 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.48 -7.52 5.92 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -151.3 -7.99 0.24 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -153.17 148.8 27.33 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 119.364 0.984 . . . . 0.0 112.443 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.4 124.82 23.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 127.008 2.123 . . . . 0.0 110.593 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -124.26 160.66 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -148.67 160.31 43.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.109 0.48 . . . . 0.0 111.61 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.03 146.38 20.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -146.86 151.11 36.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -73.08 146.94 45.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.064 -0.398 . . . . 0.0 110.997 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -141.35 -177.55 5.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.041 0.448 . . . . 0.0 110.731 -176.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -146.0 9.63 1.14 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.506 0.722 . . . . 0.0 111.429 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 75.59 -25.96 0.2 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.62 1.568 . . . . 0.0 113.683 173.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.1 m -68.84 -39.08 80.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.788 0.722 . . . . 0.0 109.777 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.85 -39.09 83.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.48 -47.7 81.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.19 -30.41 69.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.6 0.36 . . . . 0.0 111.604 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -69.91 -20.0 63.38 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.394 0.678 . . . . 0.0 112.765 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.1 p -120.84 -18.76 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.294 0.497 . . . . 0.0 111.661 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.04 -5.2 16.24 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.61 0.641 . . . . 0.0 110.75 172.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -133.37 12.38 4.17 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.206 1.002 . . . . 0.0 111.001 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -148.89 21.02 1.0 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.441 0.696 . . . . 0.0 110.421 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.1 p -62.99 -8.87 8.1 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 123.574 0.75 . . . . 0.0 112.821 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.48 177.65 47.28 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo . . . . . 0 C--O 1.25 1.111 0 C-N-CA 124.108 3.206 . . . . 0.0 111.154 179.395 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.517 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.419 -2.838 2 C5'-C4'-C3' 107.324 -5.451 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.905 3.705 . 0.105 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.476 ' N1 ' ' HA2' ' A' ' 17' ' ' GLY . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C1'-O4'-C4' 106.057 -3.937 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 1 O4'-C1'-N19 112.872 4.672 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C5'-C4'-C3' 111.69 -2.54 . 0.451 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 C5'-C4'-O4' 113.001 2.715 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 119.581 -0.247 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 56.3 ttm -148.27 150.13 33.11 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-O 120.841 0.353 . . . . 0.0 110.946 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.1 tp -157.51 145.45 18.95 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.78 0.832 . . . . 0.0 108.994 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.9 -177.61 40.95 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.57 4.95 4.07 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 124.243 3.295 . . . . 0.0 111.593 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -142.71 11.67 1.86 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.026 0.531 . . . . 0.0 110.884 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.78 167.42 39.1 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.25 -175.68 44.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -140.86 12.49 2.26 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.531 0.332 . . . . 0.0 111.197 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.96 158.67 31.75 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 11.4 m-85 -97.72 57.05 1.32 Allowed 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.488 1.115 . . . . 0.0 109.196 176.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.49 153.59 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.0 m -136.78 154.28 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 121.292 0.568 . . . . 0.0 111.348 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HE3' ' O ' ' A' ' 87' ' ' LYS . 63.8 mttt -85.46 159.71 19.88 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.829 175.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.41 132.42 24.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -145.63 172.51 13.16 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 122.6 0.36 . . . . 0.0 110.049 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.85 -128.63 9.35 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 22' ' ' CYS . 8.1 mt 70.05 165.72 0.13 Allowed Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 122.715 0.406 . . . . 0.0 109.906 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 83.7 Cg_endo -76.89 -21.12 12.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.643 2.229 . . . . 0.0 112.784 -170.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.475 ' CH2' " H1'" ' B' ' 1' ' ' ' A' . 0.0 OUTLIER 164.69 -30.49 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.315 1.846 . . . . 0.0 108.325 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -155.02 169.88 23.06 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.639 1.176 . . . . 0.0 109.477 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.438 ' HB2' HD13 ' A' ' 18' ' ' LEU . 7.6 t -160.95 -175.4 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.221 -0.299 . . . . 0.0 111.594 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -139.35 163.44 32.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.16 0.984 . . . . 0.0 110.047 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.426 HG13 ' H ' ' A' ' 24' ' ' VAL . 1.4 m -67.4 -20.64 26.8 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -171.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -84.83 -27.26 26.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.462 0.574 . . . . 0.0 111.523 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -79.74 -35.06 39.36 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.01 0.368 . . . . 0.0 110.037 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -67.37 -44.45 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.688 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -73.67 -18.16 61.05 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 119.11 0.868 . . . . 0.0 111.649 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -28.11 63.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.896 0.316 . . . . 0.0 110.492 173.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.17 -36.79 34.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -80.62 175.57 10.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 174.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -153.85 157.85 39.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.885 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 52.49 7.62 0.07 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.979 1.312 . . . . 0.0 113.264 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.7 p -79.17 179.57 7.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.24 1.016 . . . . 0.0 110.287 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 t -140.82 5.95 1.99 Allowed 'General case' 0 C--N 1.338 0.083 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 mm 43.82 24.32 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 126.514 1.926 . . . . 0.0 113.717 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.9 t60 63.26 -36.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.718 1.607 . . . . 0.0 113.967 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -152.45 -2.36 0.26 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.24 1.016 . . . . 0.0 111.552 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 102.35 -137.3 13.29 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -173.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 0.1 0.19 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.197 0.599 . . . . 0.0 112.304 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -105.16 16.85 25.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.324 1.05 . . . . 0.0 111.493 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.69 3.29 4.22 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 p -75.09 157.99 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.486 0.643 . . . . 0.0 109.383 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -150.72 162.2 41.17 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.55 0.74 . . . . 0.0 109.143 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -145.75 173.91 11.68 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.943 0.497 . . . . 0.0 110.58 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.512 HD11 ' CE2' ' A' ' 58' ' ' PHE . 16.3 mt -135.77 143.3 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -163.66 179.68 7.01 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.535 1.134 . . . . 0.0 108.849 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.47 -33.23 0.13 Allowed 'General case' 0 N--CA 1.461 0.104 0 O-C-N 122.327 -0.233 . . . . 0.0 111.459 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.33 -175.55 1.68 Allowed 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -174.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.39 63.36 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.151 0.98 . . . . 0.0 110.754 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.9 -28.25 0.09 OUTLIER Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.452 -0.638 . . . . 0.0 111.799 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -157.61 158.08 34.86 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.2 1.0 . . . . 0.0 109.632 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -155.86 137.14 13.88 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.6 p 44.32 26.06 0.15 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.027 1.331 . . . . 0.0 114.491 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.83 -11.43 79.35 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -141.38 157.42 45.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.58 -178.67 5.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.9 0.857 . . . . 0.0 112.741 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.512 ' CE2' HD11 ' A' ' 46' ' ' ILE . 79.2 m-85 -139.31 161.41 37.5 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.15 171.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.6 t -142.37 110.61 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -74.9 153.97 38.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -132.08 -174.51 3.45 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.81 -24.92 7.85 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.97 -0.906 . . . . 0.0 114.168 -175.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.1 m -148.11 165.56 30.47 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.729 1.265 . . . . 0.0 112.235 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 37.7 tt0 -59.93 -30.38 69.02 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.137 0.575 . . . . 0.0 110.479 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.93 -29.31 68.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.204 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -73.65 -41.2 63.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.207 -0.308 . . . . 0.0 110.289 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -40.42 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -61.53 -43.96 97.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 63.6 mtm -67.07 -30.05 69.99 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.35 -28.79 63.26 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.286 0.494 . . . . 0.0 111.337 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.8 -17.31 57.61 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.099 0.56 . . . . 0.0 111.825 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -65.87 -6.14 11.28 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.51 28.86 3.31 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 118.633 0.652 . . . . 0.0 110.661 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -44.57 -11.9 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -149.39 22.13 0.93 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.959 1.254 . . . . 0.0 112.757 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -69.58 -168.21 0.17 Allowed 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.659 -0.651 . . . . 0.0 112.158 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -139.0 174.38 10.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.51 0.724 . . . . 0.0 111.911 -171.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.9 mtt -110.79 -13.97 14.07 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.957 0.503 . . . . 0.0 111.574 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.47 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.704 -0.498 . . . . 0.0 113.411 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -149.64 4.61 0.59 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.844 0.822 . . . . 0.0 111.285 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.2 ttp-105 -155.22 162.93 40.8 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.461 ' CE1' ' C4 ' ' B' ' 3' ' ' ' G' 0.27 1.7 p90 -118.02 164.09 15.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 122.105 0.955 . . . . 0.0 113.397 -176.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 mm -132.25 165.67 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -169.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -143.2 148.29 36.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.607 0.242 . . . . 0.0 110.435 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.81 153.71 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -158.53 163.6 36.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 77.6 tttt -79.41 155.17 28.49 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.968 -0.458 . . . . 0.0 110.977 -175.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.0 t -144.49 177.61 8.53 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.983 0.513 . . . . 0.0 110.907 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -153.05 15.06 0.54 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.328 0.651 . . . . 0.0 112.252 -172.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 74.7 -34.52 0.27 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.318 1.847 . . . . 0.0 114.005 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -64.6 -39.25 93.39 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 119.04 0.836 . . . . 0.0 110.424 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.533 ' O ' HG12 ' A' ' 96' ' ' VAL . 47.2 tt0 -68.62 -42.78 77.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.3 ttp -59.5 -42.68 92.73 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.535 0.522 . . . . 0.0 110.863 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.94 -30.05 71.17 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -83.26 -22.08 33.15 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 92' ' ' GLU . 7.2 p -110.68 -10.8 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 C-N-CA 122.653 0.381 . . . . 0.0 112.009 -175.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -6.5 28.82 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.602 -0.686 . . . . 0.0 111.408 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -136.59 4.3 2.84 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -160.5 154.44 22.83 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 117.981 0.355 . . . . 0.0 110.38 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.8 p -161.79 169.46 21.34 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 122.682 0.393 . . . . 0.0 110.326 175.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.65 47.94 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 CA-C-O 119.05 -0.861 . . . . 0.0 112.834 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--O 1.251 1.144 0 C-N-CA 123.411 2.741 . . . . 0.0 111.116 -178.647 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.475 " H1'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -3.016 1 C5'-C4'-C3' 107.837 -5.109 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.463 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.412 -3.414 1 O4'-C1'-N19 112.648 4.448 . 0.047 0i . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.461 ' C4 ' ' CE1' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.419 -2.844 2 O4'-C1'-N19 112.895 4.695 . 0.277 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 O4'-C1'-N19 111.611 3.411 . 0.081 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.569 " H1'" ' C6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.845 1 C5'-C4'-C3' 107.627 -5.249 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.569 ' C6 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.121 2 C5'-C4'-C3' 107.331 -5.446 . 0.014 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 60.5 mtt 56.51 179.57 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.501 1.121 . . . . 0.0 112.207 -177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.2 tp -151.82 -14.06 0.19 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.226 -0.296 . . . . 0.0 111.763 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.53 54.23 0.14 Allowed Glycine 0 CA--C 1.527 0.84 0 CA-C-O 119.326 -0.708 . . . . 0.0 112.097 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -70.42 14.28 0.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 124.12 3.213 . . . . 0.0 112.787 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -140.69 10.48 2.24 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.997 0.519 . . . . 0.0 110.859 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.28 13.88 0.06 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 122.029 -0.42 . . . . 0.0 112.217 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.55 -163.82 24.23 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 53.73 18.8 1.63 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.185 0.994 . . . . 0.0 112.995 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.6 174.08 46.01 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER 63.38 29.17 15.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.81 1.244 . . . . 0.0 108.874 -175.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 t -138.78 144.05 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.62 160.42 27.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.31 0.576 . . . . 0.0 111.464 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -94.95 160.58 14.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.294 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -135.29 141.16 45.63 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.093 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' H ' HD13 ' A' ' 15' ' ' LEU . 45.9 ttt180 -153.9 162.98 40.79 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.757 0.823 . . . . 0.0 109.061 -174.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.57 -164.21 14.69 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 70.1 mt 70.18 172.87 0.1 OUTLIER Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.186 1.394 . . . . 0.0 110.361 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 50.5 Cg_exo -56.83 28.43 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.676 1 C-N-CA 125.701 4.268 . . . . 0.0 115.159 173.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.433 ' H ' ' C ' ' A' ' 18' ' ' LEU . 12.8 m0 51.35 32.61 8.66 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.056 0.942 . . . . 0.0 111.141 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.0 t -151.61 138.23 18.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.565 1.146 . . . . 0.0 107.95 173.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.1 t -162.54 174.67 12.34 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.439 0.295 . . . . 0.0 110.436 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -142.64 162.95 34.14 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.026 0.93 . . . . 0.0 109.456 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.96 -19.84 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.91 -24.28 35.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 117.882 0.31 . . . . 0.0 111.683 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -84.46 -35.91 22.68 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.988 0.358 . . . . 0.0 110.265 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.7 -36.35 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.755 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.07 -26.95 59.73 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.432 0.56 . . . . 0.0 110.951 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -25.08 64.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.467 0.307 . . . . 0.0 111.011 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -95.1 -21.43 18.54 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -102.51 62.11 0.84 Allowed 'General case' 0 C--O 1.231 0.112 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 174.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 p -53.11 153.14 3.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.298 0.57 . . . . 0.0 111.07 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 57.86 -1.59 0.08 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.672 1.589 . . . . 0.0 114.787 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.52 178.93 4.96 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.369 0.986 . . . . 0.0 110.068 175.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -123.39 -18.91 6.08 Favored 'General case' 0 N--CA 1.46 0.075 0 C-N-CA 122.678 0.391 . . . . 0.0 111.986 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.7 mt 54.7 23.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.408 1.083 . . . . 0.0 112.128 172.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.4 t60 67.36 -42.93 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.704 1.602 . . . . 0.0 113.304 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -152.56 1.72 0.32 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.3 1.04 . . . . 0.0 111.388 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 84.61 -120.14 5.19 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.82 5.4 0.13 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.116 0.966 . . . . 0.0 112.676 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -126.68 19.07 7.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.934 0.894 . . . . 0.0 111.222 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.45 0.92 4.35 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 p -74.1 160.94 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 117.28 0.54 . . . . 0.0 109.983 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.51 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 75.0 m-70 -151.27 160.4 43.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.916 0.887 . . . . 0.0 108.978 172.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -145.33 173.54 11.89 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.459 0.704 . . . . 0.0 109.454 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 58' ' ' PHE . 61.0 mt -132.03 115.51 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.088 0 CA-C-O 120.704 0.288 . . . . 0.0 111.003 -172.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -165.43 156.08 13.67 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.233 0.613 . . . . 0.0 110.58 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.4 p -149.78 178.43 8.89 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.964 0.906 . . . . 0.0 110.064 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -66.6 5.03 0.66 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.242 1.417 . . . . 0.0 114.376 -177.031 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -145.24 1.1 0.94 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 118.978 0.808 . . . . 0.0 112.545 -175.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.45 147.2 5.13 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -141.78 0.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 127.599 2.36 . . . . 0.0 110.749 4.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 55.25 19.24 2.84 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.699 1.2 . . . . 0.0 112.413 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.6 p -71.02 178.87 2.99 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.097 0.559 . . . . 0.0 111.695 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.71 2.75 82.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.08 140.25 56.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . -163.13 -177.13 5.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.38 0.609 . . . . 0.0 112.389 -168.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' A' ' 46' ' ' ILE . 88.5 m-85 -139.26 164.95 28.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.005 0.922 . . . . 0.0 108.812 171.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 t -144.96 112.52 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -77.85 150.0 34.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 mt -126.57 -167.03 1.66 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.579 0.352 . . . . 0.0 110.359 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -117.93 -22.23 3.97 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.986 -0.896 . . . . 0.0 113.966 -174.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -149.97 168.47 23.73 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 118.805 1.302 . . . . 0.0 111.603 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.39 -32.96 71.81 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 122.946 0.498 . . . . 0.0 110.286 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.37 -28.4 69.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.428 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -76.41 -41.49 47.55 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.196 -0.315 . . . . 0.0 110.378 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.92 -39.42 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -61.52 -43.41 98.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 117.991 0.36 . . . . 0.0 110.252 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.5 mtm -66.03 -31.37 72.22 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.9 60.2 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.239 0.472 . . . . 0.0 111.337 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.94 -13.89 55.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.049 0.539 . . . . 0.0 112.025 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.42 -8.39 32.7 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.7 25.21 4.03 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 123.498 0.719 . . . . 0.0 110.217 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -49.2 -12.94 0.06 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -159.57 34.16 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.428 1.013 . . . . 0.0 112.38 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -111.82 -173.61 2.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.517 0.327 . . . . 0.0 110.869 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -119.01 151.26 38.53 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -163.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.8 mtt -71.36 -26.85 62.98 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.781 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.1 -9.22 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.125 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -147.0 -17.69 0.4 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.833 1.316 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -151.64 163.44 39.09 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 83' ' ' ILE 0.304 0.8 OUTLIER -103.44 154.84 19.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -170.865 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.6 HD12 ' C ' ' A' ' 82' ' ' TYR . 1.6 mp -121.53 163.33 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -173.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' HG22 ' A' ' 83' ' ' ILE . 13.6 mt-10 -137.61 145.55 42.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.11 153.55 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.414 ' HB2' " H2'" ' B' ' 6' ' ' ' U' . 41.7 t80 -157.97 159.01 36.01 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -75.53 151.55 37.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -177.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.4 t -138.31 176.41 8.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.846 0.355 . . . . 0.0 111.072 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -143.01 13.85 1.87 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.582 0.753 . . . . 0.0 111.859 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 74.34 -33.15 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.624 1.57 . . . . 0.0 112.853 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.3 m -65.73 -39.36 91.08 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.537 0.608 . . . . 0.0 110.396 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.68 -40.43 72.96 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.442 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 63.4 ttp -57.02 -47.21 81.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.34 -30.84 71.32 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.542 0.211 . . . . 0.0 111.541 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -71.38 -24.86 62.15 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.559 0.744 . . . . 0.0 112.873 -176.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.73 -12.97 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 117.926 0.33 . . . . 0.0 111.117 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.3 -2.74 17.26 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.468 -0.77 . . . . 0.0 111.019 172.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -131.63 0.16 3.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.559 0.744 . . . . 0.0 112.183 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -159.05 141.7 14.18 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.9 t -159.23 -173.27 4.12 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -157.13 174.39 34.7 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 C--O 1.252 1.197 0 C-N-CA 124.394 3.396 . . . . 0.0 111.53 -178.531 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.451 ' C8 ' H5'' ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.698 1 C5'-C4'-C3' 109.241 -4.172 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.412 ' C5 ' ' CE3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.413 -3.305 2 C1'-O4'-C4' 102.138 -8.292 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.403 ' C4 ' ' CE1' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.415 -3.146 2 P-O3'-C3' 125.04 4.45 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 2 O4'-C1'-N19 114.242 6.042 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.542 " H1'" ' C5 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 O4'-C1'-N19 110.438 2.238 . 0.181 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.542 ' C5 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.472 1 O4'-C1'-N19 112.615 4.415 . 0.034 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mtp . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.6 mmt -144.12 169.39 17.94 Favored 'General case' 0 C--O 1.231 0.095 0 C-N-CA 123.743 0.817 . . . . 0.0 109.893 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.65 15.12 1.41 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.297 0.639 . . . . 0.0 110.033 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' N ' ' CD ' ' A' ' 5' ' ' PRO . . . -168.82 45.54 0.22 Allowed Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.338 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 4' ' ' GLY . 85.1 Cg_endo -73.68 0.15 8.58 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.32 2.68 . . . . 0.0 111.83 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -151.81 169.36 22.42 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.041 0.536 . . . . 0.0 110.403 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.09 -175.05 44.86 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.1 19.03 0.27 Allowed Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.72 33.78 0.53 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.148 0.979 . . . . 0.0 112.159 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.16 164.23 32.75 Favored Glycine 0 CA--C 1.525 0.668 0 CA-C-O 121.411 0.451 . . . . 0.0 112.548 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.5 m-85 -91.17 50.65 1.8 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.628 1.171 . . . . 0.0 109.585 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -129.44 151.88 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -175.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -137.19 157.86 35.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 121.225 0.536 . . . . 0.0 111.07 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -90.73 155.14 19.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 175.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -141.07 133.9 28.94 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.541 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' N ' HD13 ' A' ' 15' ' ' LEU . 74.5 mtt180 -143.44 153.78 43.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.05 -169.36 23.34 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.123 -0.561 . . . . 0.0 113.59 174.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.404 HD21 HD11 ' A' ' 83' ' ' ILE . 36.8 mt 60.75 151.3 0.1 OUTLIER Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 125.025 1.33 . . . . 0.0 113.314 -176.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -63.81 89.93 0.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 124.817 3.678 . . . . 0.0 112.646 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.561 ' CH2' " H1'" ' B' ' 1' ' ' ' A' . 13.6 m95 56.59 0.37 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.427 1.891 . . . . 0.0 115.946 174.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -152.04 160.09 43.54 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 119.422 1.01 . . . . 0.0 111.466 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.4 t -162.43 173.31 14.26 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.208 1.003 . . . . 0.0 109.054 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.8 p -148.43 166.69 27.36 Favored 'General case' 0 CA--C 1.523 -0.061 0 C-N-CA 122.92 0.488 . . . . 0.0 110.461 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG13 ' H ' ' A' ' 24' ' ' VAL . 2.0 m -67.29 -18.99 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 CA-C-O 119.685 -0.198 . . . . 0.0 111.531 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.89 -28.69 27.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 117.949 0.34 . . . . 0.0 111.55 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -78.82 -35.91 43.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.121 0.418 . . . . 0.0 110.019 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.56 -38.62 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.193 -0.317 . . . . 0.0 110.806 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.91 -24.44 62.46 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.639 0.654 . . . . 0.0 110.296 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -25.66 61.82 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.741 0.416 . . . . 0.0 111.33 174.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -92.16 -32.76 14.99 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -91.95 53.57 2.22 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.2 p -64.68 9.13 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.869 1.668 . . . . 0.0 114.374 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -127.79 5.55 6.07 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 123.145 0.578 . . . . 0.0 110.407 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.7 m -124.93 -176.83 3.66 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.457 0.703 . . . . 0.0 111.188 -171.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.5 m -133.85 129.11 35.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.52 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.3 mp -85.15 42.26 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.669 1.187 . . . . 0.0 109.578 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.6 t60 60.19 -19.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 113.56 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.8 m-20 -155.38 -37.22 0.09 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.695 1.598 . . . . 0.0 109.115 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.6 -41.69 1.63 Allowed Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.202 0.906 . . . . 0.0 111.216 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.09 12.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.901 1.28 . . . . 0.0 110.405 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -128.42 18.13 6.42 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.3 0.64 . . . . 0.0 111.147 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.59 7.41 4.25 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.59 160.09 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.154 0.582 . . . . 0.0 109.878 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -151.12 155.46 38.97 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.223 0.609 . . . . 0.0 110.023 173.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.08 168.86 19.92 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.679 0.792 . . . . 0.0 109.341 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 58' ' ' PHE . 32.7 mt -138.66 134.65 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -174.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -161.53 177.32 10.15 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.909 0.484 . . . . 0.0 110.438 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.1 p -143.39 164.99 28.76 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-O 121.403 0.62 . . . . 0.0 110.499 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -76.22 6.72 5.05 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.3 1.04 . . . . 0.0 112.135 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -138.22 11.83 2.81 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.857 0.863 . . . . 0.0 110.533 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.8 -136.88 3.37 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' C ' ' H ' ' A' ' 54' ' ' SER . 53.1 ttt180 -151.14 174.63 12.99 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.98 0.912 . . . . 0.0 109.411 -173.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -64.91 7.92 0.15 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.956 0.902 . . . . 0.0 112.572 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 52' ' ' ARG . 22.1 t -71.56 2.41 5.16 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.43 0.692 . . . . 0.0 111.495 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.77 -5.62 52.32 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 80.55 -165.89 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.905 1.682 . . . . 0.0 111.607 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.78 177.6 9.65 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -170.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' A' ' 46' ' ' ILE . 94.2 m-85 -137.66 167.11 22.35 Favored 'General case' 0 C--N 1.338 0.071 0 C-N-CA 124.851 1.26 . . . . 0.0 108.796 172.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 HG23 ' A' ' 36' ' ' ILE . 48.7 t -145.82 112.08 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.17 151.14 40.08 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.22 -177.88 4.5 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.938 0.399 . . . . 0.0 111.192 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.33 -34.2 6.82 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.905 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.3 m -153.17 171.26 18.75 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.362 1.081 . . . . 0.0 111.885 -176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 35.9 tt0 -59.45 -28.27 66.82 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.26 0.624 . . . . 0.0 110.994 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.51 -28.24 64.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.57 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.64 -37.54 56.16 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.259 -0.276 . . . . 0.0 110.596 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.59 -39.93 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.75 -43.19 99.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.176 0.444 . . . . 0.0 110.381 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.1 mtm -70.19 -27.42 64.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.25 -29.88 65.65 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.447 0.567 . . . . 0.0 110.834 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.6 mt -78.43 -18.26 55.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.243 0.617 . . . . 0.0 111.695 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.98 -8.45 22.88 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 26.19 3.9 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.39 0.614 . . . . 0.0 110.715 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 46.8 p30 -44.6 -12.5 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttt85 -145.81 16.37 1.42 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 120.534 1.515 . . . . 0.0 111.792 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -71.61 -161.27 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.608 0.718 . . . . 0.0 111.754 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -143.47 157.54 44.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.584 0.754 . . . . 0.0 110.315 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.1 mtt -76.46 -7.52 55.25 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.148 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.59 -17.91 6.08 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -144.03 -4.58 0.82 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -154.75 140.11 17.7 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.6 0.636 . . . . 0.0 111.315 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.419 ' CE1' ' HG2' ' A' ' 84' ' ' GLU . 1.6 t80 -67.22 145.18 55.48 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.793 1.637 . . . . 0.0 111.408 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.404 HD11 HD21 ' A' ' 18' ' ' LEU . 30.4 mm -132.48 157.39 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 125.343 1.457 . . . . 0.0 107.848 -177.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.717 ' CG ' ' H21' ' B' ' 3' ' ' ' G' . 4.9 mm-40 -135.1 138.16 43.53 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -176.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.9 149.58 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -154.81 155.32 34.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -75.87 155.17 35.53 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.16 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.7 t -143.3 -173.11 3.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.698 0.399 . . . . 0.0 110.209 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 2.8 p80 -140.19 -44.2 0.42 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.162 -173.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 131.19 -21.86 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.296 2.638 . . . . 0.0 112.398 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 m -67.0 -41.26 87.02 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 118.121 0.418 . . . . 0.0 110.455 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -71.28 -37.37 71.87 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 60.1 ttp -62.82 -35.7 80.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.452 0.301 . . . . 0.0 110.465 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.86 -27.77 60.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.735 0.302 . . . . 0.0 111.535 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -77.59 -64.41 1.16 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -175.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.15 -17.52 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 122.29 -0.256 . . . . 0.0 111.601 -173.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.79 -9.9 53.67 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.152 0.433 . . . . 0.0 111.246 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -138.94 10.04 2.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.549 0.74 . . . . 0.0 112.274 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -141.79 22.76 2.12 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.928 0.491 . . . . 0.0 111.063 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.4 m -52.54 140.6 22.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.83 0.452 . . . . 0.0 111.048 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 169.29 -179.15 42.07 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 124.194 3.263 . . . . 0.0 110.977 178.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.561 " H1'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -3.006 2 C5'-C4'-C3' 108.552 -4.632 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.471 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 C5'-C4'-O4' 113.377 2.984 . 0.051 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.717 ' H21' ' CG ' ' A' ' 84' ' ' GLU . . . . . . . . 0 O4'--C4' 1.42 -2.745 2 O4'-C1'-N19 113.924 5.724 . 0.248 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.922 1 O4'-C1'-N19 112.4 4.2 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.49 " H1'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C3'-C2'-C1' 103.812 2.568 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.49 " H3'" " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.705 1 P-O3'-C3' 125.928 5.19 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -154.79 172.77 17.43 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.011 0.524 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.59 168.4 7.56 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.112 0.482 . . . . 0.0 111.1 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.63 -51.53 0.05 OUTLIER Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.253 -0.748 . . . . 0.0 111.716 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.66 -17.96 24.63 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.67 2.913 . . . . 0.0 112.742 173.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -156.48 173.83 16.32 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.24 -175.78 36.88 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.49 179.79 40.77 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -154.41 -1.57 0.18 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.51 -170.98 43.63 Favored Glycine 0 C--N 1.338 0.653 0 CA-C-N 118.292 0.496 . . . . 0.0 113.133 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 73.47 22.07 2.78 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 126.783 2.033 . . . . 0.0 107.538 -176.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.53 148.43 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.83 154.57 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-O 121.241 0.543 . . . . 0.0 111.132 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -82.74 156.29 23.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 173.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.14 133.48 26.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -154.24 153.88 32.51 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 -172.15 24.13 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.5 -0.381 . . . . 0.0 112.428 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD21 HD11 ' A' ' 83' ' ' ILE . 22.1 mt 60.07 162.24 0.1 Allowed Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.113 1.365 . . . . 0.0 113.837 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.73 75.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 1 C-N-CA 126.475 4.784 . . . . 0.0 114.993 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.46 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 3.8 m95 52.61 6.0 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 t -157.82 155.75 30.27 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 120.525 1.511 . . . . 0.0 113.177 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -161.74 -179.89 7.59 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.916 1.686 . . . . 0.0 108.967 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.1 p -145.45 171.06 15.18 Favored 'General case' 0 C--N 1.339 0.126 0 O-C-N 122.049 -0.407 . . . . 0.0 111.131 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.83 -20.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.35 -28.05 34.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.983 0.356 . . . . 0.0 111.352 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -78.99 -36.59 41.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.06 0.391 . . . . 0.0 109.988 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.23 -37.23 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 O-C-N 122.395 -0.191 . . . . 0.0 110.857 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.36 -24.51 61.29 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.612 0.642 . . . . 0.0 110.345 176.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -23.1 61.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.645 0.378 . . . . 0.0 111.303 172.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -99.2 -25.89 14.37 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.18 53.73 0.74 Allowed 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 174.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.2 p -63.35 9.83 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.433 1.493 . . . . 0.0 114.313 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -125.42 4.66 7.67 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.149 0.579 . . . . 0.0 110.709 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.09 -178.92 3.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.456 0.702 . . . . 0.0 110.815 -175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -123.61 -13.3 7.54 Favored 'General case' 0 C--O 1.23 0.051 0 C-N-CA 122.793 0.437 . . . . 0.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.7 mt 52.75 29.47 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.096 0.959 . . . . 0.0 111.259 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.9 t60 63.03 -18.69 0.05 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.491 1.516 . . . . 0.0 113.573 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.14 -37.41 0.07 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.92 1.288 . . . . 0.0 109.875 177.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.26 -38.77 2.22 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 124.056 0.836 . . . . 0.0 111.428 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.42 11.48 1.01 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.065 1.346 . . . . 0.0 110.457 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -128.45 15.74 6.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.979 0.511 . . . . 0.0 111.355 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.84 4.87 7.45 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 175.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.04 160.5 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.293 0.637 . . . . 0.0 109.783 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -149.66 154.7 39.01 Favored 'General case' 0 C--O 1.227 -0.095 0 C-N-CA 123.438 0.695 . . . . 0.0 109.361 173.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -150.52 159.66 44.33 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.35 0.66 . . . . 0.0 109.248 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mp -137.79 142.43 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -164.92 171.12 14.47 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.825 0.345 . . . . 0.0 111.332 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.3 p -145.67 157.93 43.9 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 123.643 0.777 . . . . 0.0 109.671 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.25 31.15 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.731 1.612 . . . . 0.0 113.695 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 38.15 42.98 0.53 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.077 1.351 . . . . 0.0 113.53 -173.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -148.75 -8.72 0.18 Allowed Glycine 0 CA--C 1.532 1.146 0 N-CA-C 115.827 1.091 . . . . 0.0 115.827 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -152.95 157.65 40.92 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.385 1.593 . . . . 0.0 108.968 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' HB2' ' H61' ' B' ' 1' ' ' ' A' . 60.2 mm-40 -87.76 -31.93 19.38 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.754 0.252 . . . . 0.0 111.232 -177.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.6 m 46.38 14.89 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.8 13.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.363 -0.687 . . . . 0.0 113.54 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 49.73 -135.01 1.35 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.128 0.964 . . . . 0.0 111.99 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.43 -178.79 7.05 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -145.41 171.13 15.06 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.706 0.802 . . . . 0.0 110.83 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -147.01 115.26 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.982 0.913 . . . . 0.0 109.01 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -79.51 147.28 32.27 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -123.0 -173.18 2.65 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.863 0.363 . . . . 0.0 110.743 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.22 -30.46 5.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.982 -0.899 . . . . 0.0 113.546 -175.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.9 m -150.86 172.28 15.89 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.601 1.201 . . . . 0.0 112.118 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.22 -30.42 70.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.32 -27.73 64.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.355 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -76.81 -37.1 56.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 122.156 -0.34 . . . . 0.0 110.6 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.33 -39.26 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.47 -46.75 88.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.15 0.432 . . . . 0.0 110.47 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.5 mtm -67.04 -27.62 67.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.53 62.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.271 0.487 . . . . 0.0 110.959 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.4 -17.19 58.37 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.974 0.51 . . . . 0.0 111.564 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -66.26 -9.09 29.15 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 26.9 4.03 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-O 121.451 0.643 . . . . 0.0 110.714 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.6 p30 -48.17 -5.45 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 117.295 2.331 . . . . 0.0 117.295 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -155.13 25.24 0.42 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.042 1.292 . . . . 0.0 112.749 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -72.04 -162.15 0.09 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.826 0.822 . . . . 0.0 111.437 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.7 t -144.16 152.96 41.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.572 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.7 mtt -76.24 -11.17 59.87 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.829 0.452 . . . . 0.0 110.472 175.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.94 -3.66 7.41 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 119.555 -0.581 . . . . 0.0 111.991 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -149.66 -16.68 0.27 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.04 0.92 . . . . 0.0 113.009 -177.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -152.91 154.07 34.3 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 119.058 0.844 . . . . 0.0 111.805 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.95 128.09 35.25 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 111.74 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.472 HD11 HD21 ' A' ' 18' ' ' LEU . 19.2 mm -121.59 161.38 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 175.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -146.55 157.9 43.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 111.374 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -142.09 154.1 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -156.41 156.24 33.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -72.34 151.69 42.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.909 -0.494 . . . . 0.0 110.943 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.1 t -141.28 173.83 11.11 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.094 0.558 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -150.32 13.07 0.75 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.576 0.75 . . . . 0.0 112.002 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 79.38 -28.07 0.15 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.745 2.018 . . . . 0.0 113.274 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.5 m -67.67 -40.2 84.46 Favored 'General case' 0 CA--C 1.524 -0.037 0 CA-C-N 119.083 0.856 . . . . 0.0 110.406 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.52 -45.09 73.17 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -61.84 -43.25 99.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.273 -175.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.12 -33.11 75.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.335 0.254 . . . . 0.0 111.441 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -69.88 -55.16 10.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.77 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.14 -26.49 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 117.91 0.323 . . . . 0.0 111.745 -175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.83 -8.83 31.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.812 0.733 . . . . 0.0 110.795 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -138.63 9.12 2.63 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -148.45 8.08 0.79 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.0 t -69.16 -0.65 6.25 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.759 -0.588 . . . . 0.0 112.129 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.2 -179.44 48.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--O 1.252 1.183 0 C-N-CA 124.913 3.742 . . . . 0.0 112.969 178.235 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.523 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C5'-C4'-C3' 109.955 -3.697 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.487 " C4'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.408 -3.785 3 P-O3'-C3' 125.194 4.578 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C5'-C4'-C3' 109.955 -3.697 . 0.228 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.498 ' C8 ' H5'' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.84 1 C5'-C4'-C3' 108.917 -4.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.417 ' N3 ' " C3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C5'-C4'-C3' 112.217 -2.189 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.417 " C3'" ' N3 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.759 1 P-O3'-C3' 126.227 5.439 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 89.9 mtp 55.91 178.78 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.662 1.185 . . . . 0.0 112.521 -176.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.1 pt? -158.64 172.08 18.93 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.108 0.563 . . . . 0.0 111.04 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 -179.05 46.44 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.57 155.49 13.27 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.999 3.133 . . . . 0.0 112.219 176.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.73 4.15 1.31 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.472 0.309 . . . . 0.0 111.745 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.23 -178.47 48.75 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 118.28 0.491 . . . . 0.0 112.585 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.15 20.97 0.09 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.724 -0.951 . . . . 0.0 110.724 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.62 8.87 1.26 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.416 1.086 . . . . 0.0 112.869 -172.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.35 -5.51 7.86 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.885 -0.397 . . . . 0.0 112.504 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 49.78 26.05 1.76 Allowed 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 124.092 0.957 . . . . 0.0 110.971 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.55 155.51 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.91 154.78 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 121.043 0.449 . . . . 0.0 109.971 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -89.47 157.44 18.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -135.66 142.84 45.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' H ' HD13 ' A' ' 15' ' ' LEU . 40.0 ttm180 -149.67 148.35 29.18 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.96 -167.6 18.31 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.748 -0.263 . . . . 0.0 112.545 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 83' ' ' ILE . 31.4 mt 63.38 156.08 0.12 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 125.302 1.441 . . . . 0.0 112.79 -177.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.79 69.57 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 124.903 3.735 . . . . 0.0 112.128 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.433 ' CH2' ' C4 ' ' B' ' 1' ' ' ' A' . 0.0 OUTLIER 47.81 24.94 0.64 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.589 1.555 . . . . 0.0 113.623 176.161 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -151.13 146.52 26.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.801 -0.562 . . . . 0.0 110.52 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 t -166.93 178.79 5.6 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.95 0.9 . . . . 0.0 108.895 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.8 p -146.5 163.48 35.58 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.92 0.488 . . . . 0.0 109.715 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -68.47 -19.45 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.169 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.52 -27.86 27.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 117.653 0.206 . . . . 0.0 111.27 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.86 -34.42 39.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.982 0.355 . . . . 0.0 110.055 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -72.91 -37.72 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 117.749 0.25 . . . . 0.0 110.802 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.91 -25.47 61.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.605 0.639 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -28.27 65.09 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.591 0.357 . . . . 0.0 110.975 174.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -86.98 -19.31 28.91 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -102.85 63.67 0.84 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.822 0.849 . . . . 0.0 109.075 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 m -53.75 146.81 12.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.908 0.483 . . . . 0.0 110.824 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 59.11 -3.88 0.08 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.977 1.711 . . . . 0.0 114.482 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.7 m -81.95 -177.76 6.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 119.076 0.853 . . . . 0.0 110.435 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m -139.88 138.41 35.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.484 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.3 mp -99.69 43.29 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.262 0.625 . . . . 0.0 109.76 -173.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.9 t60 62.33 -27.98 0.07 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.151 1.78 . . . . 0.0 114.221 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 36' ' ' ILE . 23.1 m-20 -157.13 -25.31 0.09 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.378 1.471 . . . . 0.0 110.673 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.67 126.91 0.36 Allowed Glycine 0 C--N 1.338 0.65 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -174.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.63 12.04 0.15 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.868 0.867 . . . . 0.0 112.99 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.35 16.77 2.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.338 1.055 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.38 6.92 2.52 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -78.75 159.0 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 117.425 0.612 . . . . 0.0 109.871 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -153.89 161.95 41.61 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.587 0.755 . . . . 0.0 109.797 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.06 170.33 18.62 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.227 1.011 . . . . 0.0 109.349 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.518 HD11 ' CE2' ' A' ' 58' ' ' PHE . 36.6 mt -133.78 117.62 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 118.004 0.366 . . . . 0.0 110.554 -175.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -160.9 -176.16 5.35 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.578 0.751 . . . . 0.0 110.539 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.9 p -137.86 164.61 28.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.488 0.661 . . . . 0.0 110.723 176.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.66 0.71 12.02 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.507 1.123 . . . . 0.0 113.15 -176.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -146.54 32.74 0.96 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.243 0.474 . . . . 0.0 110.789 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.4 -135.19 2.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.356 -0.697 . . . . 0.0 111.356 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -145.56 173.68 11.83 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 125.322 1.449 . . . . 0.0 108.255 -174.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -58.87 136.71 57.92 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -68.59 -12.07 60.83 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.429 0.157 . . . . 0.0 111.015 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.74 4.61 39.53 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -135.57 164.0 28.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.848 0.832 . . . . 0.0 112.411 -172.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.1 -176.85 4.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.82 1.248 . . . . 0.0 109.5 -176.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.518 ' CE2' HD11 ' A' ' 46' ' ' ILE . 96.6 m-85 -140.87 166.23 25.35 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-O 121.115 0.483 . . . . 0.0 110.454 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -144.83 112.72 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.29 146.77 45.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.77 -174.71 3.21 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.454 0.57 . . . . 0.0 110.668 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.33 -22.96 7.19 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.09 -0.839 . . . . 0.0 113.809 -172.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -148.71 164.51 34.15 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 118.521 1.16 . . . . 0.0 111.03 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -59.0 -32.98 70.19 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -66.93 -25.47 66.37 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 122.046 -0.409 . . . . 0.0 111.36 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.62 -40.15 50.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.68 -39.02 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -56.44 -51.04 69.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.7 mtm -64.75 -28.22 69.43 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.493 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . . . -74.18 -29.09 61.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.063 -0.398 . . . . 0.0 111.548 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -79.49 -14.41 58.91 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.722 0.409 . . . . 0.0 111.858 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.49 -10.39 57.87 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -130.75 33.06 4.28 Favored 'General case' 0 N--CA 1.458 -0.044 0 CA-C-N 118.703 0.683 . . . . 0.0 111.209 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.56 -7.29 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.97 24.04 0.38 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 120.08 1.309 . . . . 0.0 112.712 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.9 -158.77 0.07 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.531 0.681 . . . . 0.0 111.511 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.4 t -143.48 149.06 37.01 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.141 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.7 mtt -73.24 -12.42 60.86 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.06 -13.46 4.97 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -145.33 -6.44 0.64 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -156.56 148.1 22.56 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.401 1.001 . . . . 0.0 112.275 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.18 128.55 36.31 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.226 2.21 . . . . 0.0 111.028 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.446 HD11 HD21 ' A' ' 18' ' ' LEU . 23.5 mm -120.97 163.72 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 83' ' ' ILE . 12.6 mt-10 -147.66 154.5 40.69 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.855 0.462 . . . . 0.0 110.106 176.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -145.8 156.81 12.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.51 ' CD1' " H3'" ' B' ' 6' ' ' ' U' . 18.8 t80 -157.59 165.45 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -82.1 151.56 26.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.582 0.23 . . . . 0.0 110.431 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -149.14 176.89 10.1 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.815 0.446 . . . . 0.0 110.663 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -148.04 12.9 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 111.705 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 78.82 -27.91 0.16 Allowed 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 125.49 1.516 . . . . 0.0 113.778 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.2 m -68.82 -39.02 80.24 Favored 'General case' 0 C--N 1.335 -0.023 0 CA-C-N 118.731 0.696 . . . . 0.0 109.878 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.7 -38.11 80.03 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 62.0 ttp -56.6 -46.76 80.7 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 -30.14 70.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.788 0.435 . . . . 0.0 111.88 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -73.33 -21.56 60.52 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.1 -12.71 10.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.116 0.416 . . . . 0.0 111.787 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.39 -5.4 36.19 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.196 -0.94 . . . . 0.0 111.533 173.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -131.54 3.44 4.21 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 122.878 0.471 . . . . 0.0 112.259 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -158.54 143.61 16.3 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.5 m -150.2 169.04 22.26 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 120.918 0.389 . . . . 0.0 110.437 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -174.39 177.97 46.37 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 124.067 3.178 . . . . 0.0 111.045 179.778 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.463 " H1'" " H4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.395 1 N19-C1'-C2' 119.932 4.083 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.463 " H4'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.408 -3.731 3 O4'-C1'-N19 115.041 6.841 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 2 O4'-C1'-N19 114.608 6.408 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 1 O4'-C1'-N19 113.228 5.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.629 " H1'" ' C6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 111.322 3.122 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.629 ' C6 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.376 2 C5'-C4'-C3' 107.044 -5.638 . 0.01 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 73.7 mtm -67.16 169.93 7.81 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.777 0.431 . . . . 0.0 110.768 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.92 -10.09 50.45 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.696 0.398 . . . . 0.0 111.423 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.83 176.18 40.58 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -71.8 -1.88 10.58 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 124.028 3.152 . . . . 0.0 111.809 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -140.73 12.01 2.27 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.397 0.679 . . . . 0.0 110.603 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.52 -16.29 58.86 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 119.711 -0.494 . . . . 0.0 112.04 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.08 -171.03 18.68 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 117.5 0.65 . . . . 0.0 112.625 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.52 ' H ' ' HB3' ' A' ' 89' ' ' HIS . 45.3 mt-10 49.75 91.52 0.02 OUTLIER 'General case' 0 C--O 1.231 0.117 0 C-N-CA 125.537 1.535 . . . . 0.0 112.529 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.07 179.1 18.17 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 2.9 m-30 -84.0 47.09 1.26 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.42 0.629 . . . . 0.0 109.446 -178.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.98 148.72 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.76 157.46 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 CA-C-O 121.221 0.534 . . . . 0.0 111.623 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -88.4 157.92 18.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -144.47 141.07 29.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' HD13 ' A' ' 15' ' ' LEU . 58.1 ttp180 -155.1 152.02 29.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.73 -177.29 20.28 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 112.101 -0.399 . . . . 0.0 112.101 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 19.6 mt 59.21 167.8 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 124.462 1.105 . . . . 0.0 112.269 -178.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 18.9 Cg_endo -54.34 143.37 65.75 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 121.672 1.581 . . . . 0.0 108.243 168.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.495 ' CZ3' ' C4 ' ' B' ' 2' ' ' ' G' . 0.3 OUTLIER -72.64 67.36 0.77 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.299 0.571 . . . . 0.0 112.154 -174.419 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -155.56 17.67 0.39 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.133 1.373 . . . . 0.0 110.304 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.8 t -60.64 170.81 1.31 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.927 1.291 . . . . 0.0 112.306 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -143.15 168.65 19.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.402 0.681 . . . . 0.0 111.109 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.408 ' CG1' HG11 ' A' ' 43' ' ' VAL . 1.9 m -64.98 -19.26 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.051 0 C-N-CA 123.289 0.636 . . . . 0.0 112.614 -174.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.89 -28.29 30.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 111.159 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.99 -37.47 47.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.075 0.398 . . . . 0.0 109.977 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.13 -42.37 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 119.351 -0.357 . . . . 0.0 111.081 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -75.7 -21.03 57.95 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.096 0.862 . . . . 0.0 111.28 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -27.96 65.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.321 0.248 . . . . 0.0 111.033 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -84.9 -33.84 22.68 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.38 51.96 2.37 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -62.43 7.4 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.025 1.73 . . . . 0.0 114.891 -174.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -122.73 0.66 9.31 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-N 118.374 0.534 . . . . 0.0 110.454 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.9 m -111.91 -174.76 2.53 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.886 0.874 . . . . 0.0 110.799 -172.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.6 m -139.63 132.51 29.27 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -82.74 141.03 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -49.94 -35.36 23.81 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -150.67 1.7 0.44 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.017 0.527 . . . . 0.0 111.773 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.74 -133.34 11.44 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 1.94 0.63 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.917 0.487 . . . . 0.0 112.182 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.21 17.3 21.09 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.401 1.081 . . . . 0.0 110.409 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.87 27.74 3.15 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.408 HG11 ' CG1' ' A' ' 24' ' ' VAL . 3.0 p -118.44 161.81 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.144 0.578 . . . . 0.0 110.152 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -150.98 158.8 44.6 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.509 0.724 . . . . 0.0 109.474 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -147.61 143.81 27.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mm -92.68 143.33 11.63 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -164.82 176.15 9.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.138 0.575 . . . . 0.0 110.167 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 p -142.19 174.84 10.24 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.857 0.863 . . . . 0.0 109.041 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -29.07 64.49 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 116.976 -0.102 . . . . 0.0 110.884 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -168.38 105.57 0.46 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.125 0.97 . . . . 0.0 109.749 173.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -177.2 -45.97 0.06 OUTLIER Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.588 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -161.64 169.38 21.71 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.557 0.743 . . . . 0.0 109.429 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -154.01 141.82 20.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m 34.99 56.18 0.76 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.948 1.299 . . . . 0.0 113.672 173.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.17 1.62 6.68 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -156.28 149.35 24.22 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.18 -178.88 6.65 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.709 0.766 . . . . 0.0 112.703 -170.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -142.24 159.47 42.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.889 1.276 . . . . 0.0 107.597 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -142.08 117.7 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.38 148.48 29.31 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.3 mt -127.02 -173.58 2.93 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.176 0.512 . . . . 0.0 111.293 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.43 -32.9 6.42 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.507 -175.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -151.93 169.09 23.15 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.447 1.124 . . . . 0.0 111.894 -176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 39.1 tp10 -60.92 -27.05 67.92 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.031 0.532 . . . . 0.0 110.672 176.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.65 -27.59 64.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.29 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -76.62 -36.42 57.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.386 0.274 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -69.4 -39.72 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.7 -45.24 94.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.396 0.544 . . . . 0.0 110.51 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 48.8 mtm -68.08 -25.18 65.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.34 -28.79 63.27 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.203 0.456 . . . . 0.0 111.113 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.1 mt -81.12 -14.6 57.53 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.406 0.682 . . . . 0.0 112.076 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -68.16 -4.38 13.62 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -136.16 26.71 3.22 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 124.052 0.941 . . . . 0.0 109.618 -178.513 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -48.76 -14.34 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -157.33 15.53 0.26 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 119.902 1.228 . . . . 0.0 113.336 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 73' ' ' LYS . 10.3 pt-20 -78.83 -161.08 0.26 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.963 -0.461 . . . . 0.0 110.257 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.0 t -130.98 154.78 47.8 Favored 'General case' 0 N--CA 1.458 -0.054 0 O-C-N 121.903 -0.498 . . . . 0.0 112.011 -171.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.68 -17.69 64.98 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.996 0.518 . . . . 0.0 110.129 174.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.67 -5.68 5.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -151.31 -11.66 0.21 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -155.53 147.72 23.63 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 119.234 0.924 . . . . 0.0 112.136 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.83 131.38 46.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.372 2.269 . . . . 0.0 111.411 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 84' ' ' GLU . 25.4 mm -122.43 167.37 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' HG22 ' A' ' 83' ' ' ILE . 9.9 mt-10 -145.8 147.07 31.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.862 0.465 . . . . 0.0 109.921 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.57 153.71 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.113 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.48 ' HB2' " H2'" ' B' ' 6' ' ' ' U' . 30.2 t80 -156.8 156.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.55 152.96 37.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -140.49 179.22 6.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.277 0.56 . . . . 0.0 110.648 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.52 ' HB3' ' H ' ' A' ' 9' ' ' GLU . 14.8 p80 -144.19 12.56 1.59 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.493 0.717 . . . . 0.0 110.898 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 74.35 -26.63 0.19 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 125.299 1.439 . . . . 0.0 113.66 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -70.18 -38.52 75.39 Favored 'General case' 0 C--N 1.335 -0.033 0 CA-C-N 118.54 0.609 . . . . 0.0 109.954 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.8 -38.7 76.72 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.72 -40.87 89.46 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -70.75 -28.36 64.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -74.35 -60.5 2.24 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.69 -24.72 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.159 0.436 . . . . 0.0 111.722 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.22 -4.9 23.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.361 0.528 . . . . 0.0 111.048 175.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -136.42 5.59 2.97 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.779 0.832 . . . . 0.0 112.161 -175.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -144.92 22.3 1.58 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.565 0.746 . . . . 0.0 110.679 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -61.42 -11.75 11.69 Favored 'General case' 0 C--O 1.23 0.05 0 C-N-CA 123.858 0.863 . . . . 0.0 113.192 -178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -177.3 -179.15 47.47 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.906 3.738 . . . . 0.0 112.877 178.189 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.525 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 N19-C1'-C2' 119.71 3.943 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.495 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.411 -3.478 2 O4'-C1'-N19 113.488 5.288 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 114.037 5.837 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 2 O4'-C1'-N19 112.911 4.711 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.574 " H1'" ' C5 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.0 2 P-O3'-C3' 125.397 4.748 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.574 ' C5 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 112.083 3.883 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.263 0.078 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.52 -0.62 0.47 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.1 tp -69.85 -22.99 63.22 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.852 0.296 . . . . 0.0 111.206 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.42 -178.77 37.2 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 167.61 1.19 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 124.739 3.626 . . . . 0.0 112.914 174.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -138.45 7.61 2.6 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.315 0.646 . . . . 0.0 111.083 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.56 175.1 46.13 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.16 -177.47 44.08 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' C ' ' HA ' ' A' ' 89' ' ' HIS . 36.5 mt-10 65.81 -27.0 0.11 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.557 1.943 . . . . 0.0 113.982 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 52.26 -2.27 0.01 OUTLIER Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.164 1.84 . . . . 0.0 116.518 173.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 53.9 39.93 30.99 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 118.393 1.097 . . . . 0.0 109.376 -167.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.8 t -121.87 151.12 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.58 168.92 19.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -103.16 159.2 15.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.549 0.74 . . . . 0.0 109.168 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -141.1 138.71 33.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.679 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' H ' HD13 ' A' ' 15' ' ' LEU . 3.0 ptm180 -155.35 149.25 25.51 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.08 -165.62 24.27 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 121.537 -0.364 . . . . 0.0 112.492 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.511 HD21 HD11 ' A' ' 83' ' ' ILE . 34.9 mt 59.69 148.36 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 C-N-CA 125.589 1.555 . . . . 0.0 114.177 -177.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.35 98.52 0.33 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 124.366 3.378 . . . . 0.0 112.096 -176.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.537 ' CZ3' ' C4 ' ' B' ' 1' ' ' ' A' . 0.0 OUTLIER 48.69 9.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.374 1.87 . . . . 0.0 115.971 176.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -156.04 155.58 32.91 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 120.302 1.41 . . . . 0.0 113.036 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.3 t -166.38 165.03 17.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.057 1.343 . . . . 0.0 108.07 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -144.84 162.51 36.62 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.07 -21.12 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.073 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -80.71 -24.32 38.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 117.777 0.262 . . . . 0.0 111.49 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -84.13 -33.97 24.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.003 0.365 . . . . 0.0 110.34 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.31 -36.77 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 O-C-N 122.374 -0.204 . . . . 0.0 110.777 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.13 -27.53 62.68 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.028 0.376 . . . . 0.0 110.043 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.44 63.87 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.864 0.466 . . . . 0.0 111.625 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -88.23 -22.12 24.14 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 8.2 mp -102.99 60.3 0.78 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m -57.93 5.65 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.258 1.823 . . . . 0.0 115.656 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -137.19 6.97 2.86 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.982 0.81 . . . . 0.0 111.403 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 67.5 m -113.67 -179.26 3.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.112 0.565 . . . . 0.0 111.251 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 m -136.94 123.24 20.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' A' ' 38' ' ' ASP . 5.1 mp -83.39 41.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 124.954 1.302 . . . . 0.0 109.957 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.1 t60 60.16 -18.65 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.776 1.63 . . . . 0.0 113.66 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.6 m-20 -155.41 -37.41 0.09 Allowed 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.839 1.656 . . . . 0.0 109.067 176.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.24 1.38 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 124.208 0.908 . . . . 0.0 111.247 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.7 12.2 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.049 1.34 . . . . 0.0 110.503 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . . . -126.57 18.66 7.43 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.115 0.566 . . . . 0.0 111.084 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.28 6.0 4.62 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.46 161.21 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.285 0.634 . . . . 0.0 109.93 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -154.72 156.0 35.59 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.133 0.573 . . . . 0.0 110.456 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -148.18 164.3 34.36 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.491 HG12 ' H ' ' A' ' 56' ' ' GLU . 1.3 mm -107.35 10.45 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 122.04 0.924 . . . . 0.0 111.482 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -166.52 172.98 10.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 127.121 2.169 . . . . 0.0 107.435 -174.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.7 p -148.2 173.08 13.35 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 118.654 0.661 . . . . 0.0 111.432 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -22.13 53.66 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.024 0.529 . . . . 0.0 111.89 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.87 -24.89 39.74 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 173.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.46 -15.63 0.02 OUTLIER Glycine 0 CA--C 1.532 1.104 0 N-CA-C 116.395 1.318 . . . . 0.0 116.395 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 40.4 mmt180 49.69 56.08 8.4 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 119.574 1.687 . . . . 0.0 111.488 176.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.514 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 25.2 mp0 -54.27 -32.66 56.76 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.504 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 44.9 t 128.19 144.27 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 128.56 2.744 . . . . 0.0 107.713 178.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 161.28 -164.38 34.92 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.145 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' H ' HG12 ' A' ' 46' ' ' ILE . 98.0 mt-10 -136.74 -152.41 0.45 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.125 1.37 . . . . 0.0 109.185 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' LEU . . . -150.9 172.43 15.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.252 0.548 . . . . 0.0 111.146 -177.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.407 ' CG ' ' HG3' ' A' ' 93' ' ' MET . 97.2 m-85 -141.7 161.55 37.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.511 HG13 HG23 ' A' ' 36' ' ' ILE . 38.7 t -144.71 104.69 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.15 147.33 46.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.4 mt -125.96 -175.58 3.39 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 121.189 0.519 . . . . 0.0 111.547 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.73 -33.75 6.91 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.425 -174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -151.77 170.07 20.67 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.225 1.013 . . . . 0.0 111.783 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.16 -28.11 67.65 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.46 0.704 . . . . 0.0 111.025 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.26 -28.72 64.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.7 -0.625 . . . . 0.0 110.454 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -74.97 -38.09 61.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.2 -0.313 . . . . 0.0 110.611 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -39.89 82.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.26 -45.12 95.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.142 0.428 . . . . 0.0 110.335 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.0 mtm -67.13 -28.72 68.38 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.021 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.28 -14.32 58.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.011 0.524 . . . . 0.0 111.594 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -68.52 -7.58 33.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 27.61 4.18 Favored 'General case' 0 C--N 1.337 0.045 0 CA-C-N 118.586 0.63 . . . . 0.0 110.597 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -46.38 -10.37 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 -177.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -151.46 18.95 0.73 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 120.397 1.453 . . . . 0.0 112.072 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -71.7 -161.51 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.745 0.783 . . . . 0.0 112.377 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 t -143.16 149.03 37.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.086 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 63.6 mtt -73.11 -11.52 60.57 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 122.496 0.319 . . . . 0.0 110.356 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.77 -13.11 3.41 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-O 119.608 -0.551 . . . . 0.0 111.77 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -153.48 -3.85 0.2 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 117.912 0.856 . . . . 0.0 113.027 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -150.86 144.72 25.2 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.265 0.938 . . . . 0.0 112.412 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' CE2' ' C4 ' ' B' ' 3' ' ' ' G' . 2.7 t80 -64.68 125.44 24.76 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 127.528 2.331 . . . . 0.0 110.999 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.511 HD11 HD21 ' A' ' 18' ' ' LEU . 20.7 mm -121.06 161.21 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 176.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 83' ' ' ILE . 23.2 mt-10 -148.09 154.44 40.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.093 0.473 . . . . 0.0 111.1 178.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.37 145.58 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -146.67 152.24 38.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -75.09 145.81 41.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.966 0.412 . . . . 0.0 111.391 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -138.41 -174.26 3.76 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.021 0.529 . . . . 0.0 110.402 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.403 ' HA ' ' C ' ' A' ' 9' ' ' GLU . 10.0 p80 -155.35 16.53 0.4 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.612 0.765 . . . . 0.0 111.676 -177.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 76.52 -28.82 0.18 Allowed 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.341 1.456 . . . . 0.0 113.176 172.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -68.24 -38.73 82.15 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.4 0.545 . . . . 0.0 109.838 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -70.7 -33.74 71.21 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.407 ' HG3' ' CG ' ' A' ' 58' ' ' PHE . 63.0 ttp -59.58 -49.76 76.5 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.39 -28.25 68.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 122.843 0.457 . . . . 0.0 111.503 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.73 -19.44 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.4 0.68 . . . . 0.0 112.184 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 p -121.35 -24.62 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 118.004 0.365 . . . . 0.0 111.723 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.79 -3.37 21.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.905 0.775 . . . . 0.0 111.485 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -124.39 5.67 8.37 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.156 0.582 . . . . 0.0 112.436 -176.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -151.34 -4.53 0.28 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.9 m 52.59 11.99 0.22 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.8 -175.95 46.36 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo . . . . . 0 C--O 1.25 1.121 0 C-N-CA 124.209 3.272 . . . . 0.0 110.999 177.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.537 ' C4 ' ' CZ3' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.417 -2.984 1 N19-C1'-C2' 120.321 4.326 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.636 0 O4'-C1'-N19 111.861 3.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.402 ' C4 ' ' CE2' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.421 -2.678 2 O4'-C1'-N19 113.357 5.157 OUTLIER-DELTA 0.011 1b . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 1 O4'-C1'-N19 112.382 4.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.459 " O3'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 O4'-C1'-N19 110.714 2.514 . 0.354 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.459 " H3'" " O3'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.099 0 O4'-C1'-N19 111.438 3.238 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttm . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.5 mmt -65.41 163.31 15.98 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 122.759 0.424 . . . . 0.0 111.163 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.64 -11.36 60.81 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.576 0.351 . . . . 0.0 110.949 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.81 173.05 37.68 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.69 158.04 43.65 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.707 2.938 . . . . 0.0 110.782 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -158.99 177.73 10.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.982 0.513 . . . . 0.0 110.556 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.56 23.53 0.84 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 112.21 -0.356 . . . . 0.0 112.21 -177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.31 176.11 36.14 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -146.33 16.45 1.33 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.812 0.445 . . . . 0.0 111.968 -172.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.78 175.56 24.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 3.8 m-30 -82.56 42.49 0.77 Allowed 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.781 0.832 . . . . 0.0 109.918 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.77 149.39 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -138.76 163.31 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 111.353 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -99.02 159.61 14.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -140.33 139.77 35.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' N ' HD13 ' A' ' 15' ' ' LEU . 93.4 mtt180 -149.85 149.81 31.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' HA2' ' N1 ' ' B' ' 3' ' ' ' G' . . . 148.33 -178.33 25.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 121.101 -0.571 . . . . 0.0 113.519 173.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.414 HD21 HD11 ' A' ' 83' ' ' ILE . 27.1 mt 61.33 162.02 0.11 Allowed Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 125.809 1.644 . . . . 0.0 114.135 178.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.34 79.16 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.458 1 C-N-CA 126.478 4.785 . . . . 0.0 114.54 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.524 ' CH2' ' C8 ' ' B' ' 2' ' ' ' G' . 6.1 m95 53.69 0.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 177.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -151.97 161.72 42.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 120.831 1.651 . . . . 0.0 112.808 -176.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -160.2 -177.35 6.21 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.873 1.269 . . . . 0.0 108.617 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.3 p -143.35 165.43 27.53 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 118.398 0.545 . . . . 0.0 111.025 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -70.33 -19.53 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.12 -29.32 24.93 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.109 0.413 . . . . 0.0 111.195 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -79.06 -32.61 44.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.066 0.394 . . . . 0.0 110.227 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -74.88 -37.03 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.464 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -72.17 -26.88 62.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.732 0.696 . . . . 0.0 110.579 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -28.69 62.15 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.271 0.229 . . . . 0.0 110.589 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -84.44 -28.17 27.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.852 0.461 . . . . 0.0 112.09 -174.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -89.28 60.14 5.17 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.2 p -50.42 146.42 5.38 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.134 0.573 . . . . 0.0 110.83 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.33 -10.08 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.179 1.792 . . . . 0.0 114.425 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.78 178.9 5.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 119.52 1.055 . . . . 0.0 110.08 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -140.55 109.26 5.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.527 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -69.75 141.83 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -46.55 -36.19 6.55 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.216 1.006 . . . . 0.0 113.412 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -153.16 9.79 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.324 0.65 . . . . 0.0 111.172 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.97 -121.2 6.17 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.14 3.14 0.46 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.063 0.945 . . . . 0.0 112.546 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.42 15.15 7.71 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.757 0.823 . . . . 0.0 110.842 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.71 -2.42 3.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.23 163.79 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -150.58 161.04 43.33 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.529 0.732 . . . . 0.0 109.294 172.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -147.33 172.6 13.63 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.733 0.813 . . . . 0.0 109.184 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 58' ' ' PHE . 33.3 mt -129.63 138.93 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -159.15 175.86 12.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.934 0.494 . . . . 0.0 110.727 -173.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.1 p -145.52 177.47 8.84 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.072 0.949 . . . . 0.0 109.616 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.05 -25.41 63.7 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 122.505 0.322 . . . . 0.0 111.167 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -60.71 -26.8 67.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.658 0.783 . . . . 0.0 112.427 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.67 21.47 61.74 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.543 -0.587 . . . . 0.0 113.814 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -69.79 -16.68 63.33 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.41 1.105 . . . . 0.0 112.757 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 40.43 57.51 2.5 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.194 0.997 . . . . 0.0 111.788 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 m -46.95 155.9 0.24 Allowed 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 125.422 1.489 . . . . 0.0 113.802 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.96 -11.72 84.9 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 175.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.6 135.57 56.89 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.22 179.39 7.46 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.404 0.621 . . . . 0.0 112.352 -170.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' HD11 ' A' ' 46' ' ' ILE . 87.5 m-85 -138.39 163.8 30.96 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.169 0.988 . . . . 0.0 109.44 173.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.4 t -145.54 119.27 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -81.66 150.75 27.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.7 -171.77 2.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.909 0.385 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.96 -32.05 5.46 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.178 -0.79 . . . . 0.0 113.478 -175.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -152.37 170.15 20.79 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.414 1.107 . . . . 0.0 111.881 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 34.6 tt0 -59.78 -29.22 68.06 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.344 0.657 . . . . 0.0 110.955 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.25 -26.48 63.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.784 -0.573 . . . . 0.0 110.617 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -78.35 -37.62 43.92 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.492 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -39.45 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.76 -46.64 88.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 110.128 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.67 -28.9 68.82 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.33 62.29 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.349 0.522 . . . . 0.0 111.083 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 mt -84.69 -14.75 47.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.907 0.483 . . . . 0.0 111.467 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.61 -7.25 37.13 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 25.12 4.34 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-O 121.534 0.683 . . . . 0.0 110.445 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -45.11 -12.81 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 117.397 2.369 . . . . 0.0 117.397 -177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -148.67 25.13 0.96 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.488 1.494 . . . . 0.0 112.646 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.36 -168.77 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.769 0.713 . . . . 0.0 112.118 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.0 p -141.03 1.22 1.63 Allowed 'General case' 0 C--N 1.335 -0.044 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 57.6 mtt 53.08 10.93 0.19 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.696 0.68 . . . . 0.0 111.433 -171.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.76 6.07 88.46 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.016 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -144.1 -11.0 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.749 1.275 . . . . 0.0 114.269 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.516 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 12.4 tpt180 -154.44 -122.67 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.253 0.933 . . . . 0.0 110.889 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.516 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.4 t80 -162.88 117.51 1.73 Allowed 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.414 HD11 HD21 ' A' ' 18' ' ' LEU . 5.7 mm -121.57 157.18 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -144.65 157.33 44.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.189 0.519 . . . . 0.0 111.438 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.8 153.88 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -153.17 149.58 28.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -73.25 149.72 42.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.112 -0.368 . . . . 0.0 110.113 -175.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 t -140.08 -171.36 3.17 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 3.3 p80 -141.84 -44.1 0.35 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 118.475 -0.774 . . . . 0.0 111.084 -175.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 133.04 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 128.588 2.755 . . . . 0.0 112.795 171.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.9 m -69.0 -35.74 77.02 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.311 0.505 . . . . 0.0 110.26 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.72 -37.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 62.1 ttp -63.13 -35.46 80.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.569 0.348 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.82 -27.46 60.3 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.245 -0.284 . . . . 0.0 111.388 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -77.41 -68.38 0.62 Allowed 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.93 -18.85 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -172.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -19.03 57.31 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.027 0.531 . . . . 0.0 111.364 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -139.12 12.44 2.62 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.142 0.977 . . . . 0.0 112.238 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -137.39 11.67 3.0 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.109 0.413 . . . . 0.0 112.014 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.4 t -62.45 165.0 6.6 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.776 0.322 . . . . 0.0 110.433 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.18 172.7 37.49 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.929 3.753 . . . . 0.0 113.107 -177.847 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.522 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 N19-C1'-C2' 119.597 3.873 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.524 ' C8 ' ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.409 -3.651 1 P-O3'-C3' 124.95 4.375 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.429 ' N1 ' ' HA2' ' A' ' 17' ' ' GLY . . . . . . . . 0 O4'--C4' 1.413 -3.356 0 C1'-O4'-C4' 106.024 -3.974 OUTLIER-EPSILON 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.48 " H3'" H5'' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.744 1 C5'-C4'-C3' 108.853 -4.432 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.48 H5'' " H3'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 1 C5'-C4'-C3' 107.947 -5.035 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 1 C5'-C4'-C3' 108.862 -4.425 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.1 mpt? 53.51 15.84 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.497 1.119 . . . . 0.0 113.187 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.6 tp -154.07 -19.19 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.813 0.445 . . . . 0.0 110.834 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.78 175.86 37.94 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.55 171.48 18.07 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.15 3.233 . . . . 0.0 110.825 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -141.81 10.1 1.99 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.208 0.603 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.73 177.68 47.43 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.91 27.54 26.04 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -127.93 23.63 6.12 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.463 0.632 . . . . 0.0 112.245 -171.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.3 171.97 23.71 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.2 m-85 -88.72 45.35 1.28 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.789 0.836 . . . . 0.0 109.773 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.55 150.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.95 156.57 31.56 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.35 0.595 . . . . 0.0 111.506 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -87.25 158.6 19.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.65 133.98 29.77 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -145.45 145.71 31.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.461 ' HA2' ' N1 ' ' B' ' 3' ' ' ' G' . . . 138.59 -174.09 22.21 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.194 -0.527 . . . . 0.0 114.201 173.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD21 HD11 ' A' ' 83' ' ' ILE . 24.2 mt 62.91 165.83 0.11 Allowed Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 125.164 1.386 . . . . 0.0 113.394 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 74.7 Cg_exo -51.6 60.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.609 1 C-N-CA 127.384 5.389 . . . . 0.0 116.68 174.479 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.426 ' CH2' ' C4 ' ' B' ' 1' ' ' ' A' . 1.1 m95 58.56 9.24 1.04 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.28 1.432 . . . . 0.0 114.328 174.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.5 p -158.91 158.78 34.03 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.309 0.504 . . . . 0.0 111.294 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -163.83 -174.84 3.81 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.725 1.21 . . . . 0.0 109.433 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -141.5 167.25 22.62 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.688 0.395 . . . . 0.0 110.95 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.77 -20.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.066 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.17 -26.47 36.0 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.086 0.403 . . . . 0.0 111.683 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -82.62 -35.89 26.6 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.197 0.453 . . . . 0.0 110.336 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.98 -34.81 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.198 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.78 -25.68 49.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.468 0.576 . . . . 0.0 110.914 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -25.0 64.24 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 172.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -93.59 -21.4 19.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.125 0.57 . . . . 0.0 111.741 -177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -109.41 52.38 0.72 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.4 p -62.77 7.8 0.07 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.693 1.597 . . . . 0.0 114.954 -173.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -129.79 -1.22 4.8 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.31 0.504 . . . . 0.0 111.125 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.9 m -88.87 -177.19 5.44 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.527 0.731 . . . . 0.0 110.728 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -123.45 -16.05 6.94 Favored 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 123.217 0.607 . . . . 0.0 111.413 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.8 mt 54.07 26.04 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 124.551 1.14 . . . . 0.0 111.778 173.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 61.93 -19.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.606 1.562 . . . . 0.0 114.209 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 36' ' ' ILE . 25.9 m-20 -155.15 -28.13 0.11 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.491 1.116 . . . . 0.0 111.435 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 -1.39 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 117.677 0.217 . . . . 0.0 113.283 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -173.33 3.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.064 1.346 . . . . 0.0 110.88 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.66 16.4 3.62 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.16 0.73 14.62 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 175.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.61 156.01 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.985 0.914 . . . . 0.0 109.718 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -151.27 151.22 31.52 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.193 0.597 . . . . 0.0 109.542 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -147.5 158.8 44.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 109.596 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mp -137.89 85.45 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -150.35 -176.71 5.58 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.455 1.102 . . . . 0.0 108.778 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -137.45 162.11 34.53 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.78 0.8 . . . . 0.0 112.153 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 6.26 3.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.272 1.429 . . . . 0.0 113.492 -177.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -145.94 23.16 1.39 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.378 0.609 . . . . 0.0 110.662 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.49 -133.81 1.98 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.68 -173.45 4.52 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.301 1.04 . . . . 0.0 109.301 -175.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -51.38 137.29 23.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.4 m -141.83 20.07 2.15 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.275 0.63 . . . . 0.0 111.215 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.51 17.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.388 -0.673 . . . . 0.0 112.617 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 51.33 -137.78 1.14 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.094 0.947 . . . . 0.0 111.356 -172.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.92 178.24 9.88 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -148.35 169.8 19.36 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.758 0.823 . . . . 0.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.3 t -147.1 116.65 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -79.14 150.83 31.63 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mt -129.77 -172.73 2.84 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.568 0.223 . . . . 0.0 110.69 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.66 -22.54 7.65 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 119.01 -0.884 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -158.56 173.4 16.67 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 119.045 1.422 . . . . 0.0 111.958 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 36.3 tt0 -58.71 -31.2 68.04 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.804 0.842 . . . . 0.0 110.438 174.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.0 -30.39 69.63 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 121.943 -0.473 . . . . 0.0 110.693 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.26 -39.38 54.53 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.303 -0.248 . . . . 0.0 110.701 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.6 -39.55 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtm -68.85 -28.69 66.95 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -27.74 62.36 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.392 0.542 . . . . 0.0 110.93 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -80.37 -15.48 56.75 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 122.836 0.455 . . . . 0.0 111.715 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.47 -8.85 36.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 24.97 3.76 Favored 'General case' 0 C--O 1.228 -0.079 0 CA-C-O 121.324 0.583 . . . . 0.0 110.713 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -48.09 -5.63 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -152.41 20.42 0.64 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.998 1.272 . . . . 0.0 113.103 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -70.76 -162.6 0.07 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 112.118 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.6 t -144.19 179.89 6.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.552 0.741 . . . . 0.0 110.997 -174.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtt -125.51 -7.51 6.9 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.548 0.739 . . . . 0.0 111.348 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.62 -4.03 12.0 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.343 -0.698 . . . . 0.0 113.722 175.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -147.33 -20.92 0.39 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.399 1.099 . . . . 0.0 112.099 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -158.73 153.72 25.13 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' CE1' ' C4 ' ' B' ' 3' ' ' ' G' 0.267 0.4 OUTLIER -90.17 159.94 16.49 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -172.543 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.49 HD11 HD21 ' A' ' 18' ' ' LEU . 4.9 mm -126.64 162.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -175.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -147.46 159.09 44.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.442 0.639 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -141.11 152.32 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -154.92 150.07 27.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -71.81 149.69 45.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.397 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.3 t -141.21 -167.47 2.4 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.486 0.315 . . . . 0.0 111.032 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 89' ' ' HIS . 3.2 p80 -145.29 -39.19 0.25 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.697 -173.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 126.38 -22.93 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.664 2.786 . . . . 0.0 112.299 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.8 m -69.68 -39.26 77.07 Favored 'General case' 0 C--O 1.23 0.039 0 CA-C-N 118.292 0.497 . . . . 0.0 110.581 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.4 -38.61 78.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -60.0 -46.58 89.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.96 -28.77 68.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -70.51 -57.16 5.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.742 0.417 . . . . 0.0 111.883 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.92 -23.18 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 119.611 -0.233 . . . . 0.0 111.319 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -8.01 13.37 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.297 0.499 . . . . 0.0 110.923 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -138.96 11.33 2.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.175 0.99 . . . . 0.0 111.412 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -149.79 36.87 0.71 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.943 0.497 . . . . 0.0 110.662 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.0 p -51.83 151.42 3.48 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.483 0.713 . . . . 0.0 112.166 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . 169.92 -47.94 0.21 Allowed Glycine 0 CA--C 1.533 1.167 0 CA-C-O 118.441 -1.2 . . . . 0.0 113.803 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 68.5 Cg_endo . . . . . 0 C--O 1.252 1.177 0 C-N-CA 122.506 2.137 . . . . 0.0 111.584 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.55 " H1'" " H4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.551 1 C5'-C4'-C3' 109.255 -4.163 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.55 " H4'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.424 3 P-O3'-C3' 127.052 6.127 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.466 ' C4 ' ' CE1' ' A' ' 82' ' ' TYR . . . . . . . . 0 O4'--C4' 1.419 -2.821 1 O4'-C1'-N19 112.605 4.405 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.512 ' C8 ' H5'' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.704 1 C3'-C2'-C1' 105.16 4.066 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 C4'-C3'-C2' 99.572 -3.128 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 P-O3'-C3' 123.048 2.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 N--CA 1.476 0.825 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 mpp? 52.83 7.84 0.08 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.797 1.639 . . . . 0.0 115.413 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.05 -4.18 5.68 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.04 0.836 . . . . 0.0 110.853 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.15 175.08 27.67 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.94 172.89 14.99 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 124.298 3.332 . . . . 0.0 110.688 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -139.47 11.72 2.53 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.953 0.501 . . . . 0.0 111.222 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.25 -9.3 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.908 -0.384 . . . . 0.0 112.44 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.19 162.18 37.38 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -149.54 12.16 0.8 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.089 0.556 . . . . 0.0 111.35 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.19 168.21 34.03 Favored Glycine 0 CA--C 1.526 0.777 0 O-C-N 121.862 -0.523 . . . . 0.0 112.225 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 64' ' ' GLU . 8.4 m-85 -89.18 54.48 2.98 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 124.037 0.935 . . . . 0.0 110.153 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.4 t -134.78 153.42 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.86 165.42 26.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.184 0.516 . . . . 0.0 110.696 176.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -102.54 157.82 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' C ' ' HD2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -138.71 140.68 38.83 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.67 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HD2' ' C ' ' A' ' 15' ' ' LEU . 1.2 mpt_? -145.17 147.57 32.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.83 -173.84 22.97 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.718 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.468 HD21 HD11 ' A' ' 83' ' ' ILE . 31.8 mt 63.43 162.65 0.12 Allowed Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.672 1.589 . . . . 0.0 113.797 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 63.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.525 1 C-N-CA 127.117 5.211 . . . . 0.0 116.581 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.576 ' CH2' " H1'" ' B' ' 1' ' ' ' A' . 0.5 OUTLIER 55.58 8.29 0.3 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 113.653 174.195 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -160.7 156.29 25.22 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.375 0.67 . . . . 0.0 109.924 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.8 p -161.28 -179.15 7.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 109.981 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -139.11 162.92 33.76 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.018 0.527 . . . . 0.0 110.299 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -67.18 -16.81 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.75 -27.02 27.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.042 0.383 . . . . 0.0 111.593 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -80.48 -34.85 35.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.51 -39.42 70.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.773 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -71.75 -24.6 61.8 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.063 0.847 . . . . 0.0 110.866 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -25.44 63.74 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.445 0.298 . . . . 0.0 110.982 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -92.91 -25.87 17.86 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.467 0.307 . . . . 0.0 111.724 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 33' ' ' ASP . 2.0 mm? -106.44 50.43 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -64.79 20.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.217 1.407 . . . . 0.0 113.368 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 31' ' ' LEU . 24.6 m-20 -132.59 9.57 4.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.478 0.711 . . . . 0.0 110.857 -178.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.9 p -122.35 -166.14 1.37 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.896 0.478 . . . . 0.0 111.201 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.94 4.43 5.36 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 38' ' ' ASP . 2.7 mp 41.85 34.64 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 125.217 1.407 . . . . 0.0 111.751 -175.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.4 t60 62.17 -26.92 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.302 1.841 . . . . 0.0 114.25 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.5 m-20 -159.3 -22.93 0.07 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.298 1.439 . . . . 0.0 111.182 175.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.68 125.83 0.24 Allowed Glycine 0 C--N 1.338 0.661 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.8 11.91 0.16 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.821 0.848 . . . . 0.0 112.908 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 16.31 1.8 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.037 0.935 . . . . 0.0 111.392 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.09 4.63 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -73.82 160.54 5.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -151.24 156.77 41.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.57 0.348 . . . . 0.0 110.353 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -145.98 170.61 16.28 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.054 0.942 . . . . 0.0 108.684 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.649 HD11 ' CE2' ' A' ' 58' ' ' PHE . 45.6 mt -133.29 -19.63 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.09 0 CA-C-O 120.854 0.359 . . . . 0.0 111.806 -173.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -173.51 0.08 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.197 0.999 . . . . 0.0 111.379 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.0 p -140.34 167.21 22.69 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.776 0.798 . . . . 0.0 112.692 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 7.09 4.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.432 1.493 . . . . 0.0 112.88 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -147.57 17.46 1.16 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.087 0.555 . . . . 0.0 111.259 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.38 -138.11 3.7 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -147.67 -68.37 0.24 Allowed 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 122.557 0.343 . . . . 0.0 110.115 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -150.86 158.39 44.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 121.135 0.493 . . . . 0.0 111.545 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.2 p -161.78 9.56 0.07 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.32 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.58 1.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 CA-C-O 119.415 -0.658 . . . . 0.0 113.869 -176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 62.05 -117.61 0.62 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.418 1.109 . . . . 0.0 112.238 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.23 -179.16 7.46 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -170.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.649 ' CE2' HD11 ' A' ' 46' ' ' ILE . 98.1 m-85 -139.56 168.57 19.52 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.792 1.237 . . . . 0.0 109.144 174.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -146.36 109.81 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -74.46 152.56 39.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.68 -176.56 4.08 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.53 -26.68 7.13 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 118.787 -1.007 . . . . 0.0 114.308 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.4 m -150.4 167.93 25.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.859 1.33 . . . . 0.0 112.138 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 32.4 tt0 -59.28 -31.46 69.13 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 122.891 0.476 . . . . 0.0 110.326 175.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.55 -26.31 66.24 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.444 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -77.08 -41.19 43.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.168 -0.332 . . . . 0.0 110.269 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -68.37 -40.27 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.06 -44.76 95.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 58.9 mtm -70.35 -26.26 63.65 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.93 -29.71 64.58 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.582 0.628 . . . . 0.0 111.055 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.76 -16.27 55.9 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.308 0.643 . . . . 0.0 111.577 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.38 -8.13 30.41 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 25.96 4.56 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 118.489 0.586 . . . . 0.0 110.458 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -45.21 -17.2 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -140.85 21.85 2.3 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.71 1.595 . . . . 0.0 112.517 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -69.69 -168.2 0.17 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.679 0.752 . . . . 0.0 112.392 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.4 m -139.76 179.43 6.59 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.884 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 64.5 mtt -131.38 -31.07 1.65 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 123.934 0.894 . . . . 0.0 110.178 175.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 81' ' ' ARG . . . 139.29 139.77 3.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.7 m80 51.97 -1.27 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.37 1.468 . . . . 0.0 114.598 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.464 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 8.8 tpt180 -162.32 172.38 15.75 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.007 0.923 . . . . 0.0 109.325 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.464 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -134.81 167.05 21.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -172.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.468 HD11 HD21 ' A' ' 18' ' ' LEU . 3.4 mm -128.76 161.42 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.518 0.727 . . . . 0.0 110.093 -167.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.435 ' CG ' ' H21' ' B' ' 3' ' ' ' G' . 25.4 mm-40 -143.41 147.58 34.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.41 0.684 . . . . 0.0 110.449 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.66 154.25 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.364 0.665 . . . . 0.0 110.244 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -152.52 155.2 36.99 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -81.34 143.84 31.91 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 121.922 -0.486 . . . . 0.0 111.643 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.7 t -132.63 -177.39 4.46 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.916 -0.49 . . . . 0.0 111.818 -174.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -146.09 6.4 1.01 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.543 0.737 . . . . 0.0 112.092 -174.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 81.14 -28.33 0.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.316 1.447 . . . . 0.0 113.006 171.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.5 m -69.64 -40.0 76.78 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.488 0.586 . . . . 0.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.06 -41.63 86.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.429 ' HG2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 tmm? -58.78 -45.96 88.64 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 123.377 0.423 . . . . 0.0 110.031 -177.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.83 -28.92 68.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -72.82 -56.23 5.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 p -72.42 -22.3 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 122.102 -0.374 . . . . 0.0 111.258 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.71 -5.1 14.4 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.213 0.461 . . . . 0.0 110.94 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -134.74 6.81 3.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.734 0.814 . . . . 0.0 112.338 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -143.8 14.14 1.72 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.831 0.453 . . . . 0.0 111.546 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.4 p -59.74 159.09 9.22 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.986 0.422 . . . . 0.0 111.398 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.79 177.13 43.67 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 C--O 1.252 1.175 0 C-N-CA 124.148 3.232 . . . . 0.0 111.164 179.44 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.576 " H1'" ' CH2' ' A' ' 20' ' ' TRP . . . . . . . . 0 O4'--C4' 1.42 -2.722 2 C5'-C4'-C3' 107.999 -5.0 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.486 " H1'" " H1'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.228 3 O4'-C1'-N19 114.645 6.445 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.435 ' H21' ' CG ' ' A' ' 84' ' ' GLU . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 O4'-C1'-N19 111.607 3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.476 " H3'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.972 0 O4'-C1'-N19 111.694 3.494 . 0.389 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.476 ' C8 ' " H3'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.65 1 O4'-C1'-N19 112.975 4.775 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.945 0 N19-C1'-C2' 107.271 -3.83 . 0.012 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.271 0.081 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -145.74 -6.49 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.5 mt 45.63 23.84 0.17 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.371 1.468 . . . . 0.0 114.663 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.99 175.56 47.56 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.764 -0.585 . . . . 0.0 111.768 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.04 170.19 20.95 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.113 3.208 . . . . 0.0 111.186 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -145.38 170.5 16.21 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.117 0.967 . . . . 0.0 109.222 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.04 1.07 0.04 OUTLIER Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.659 -0.523 . . . . 0.0 113.231 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.75 -177.04 47.7 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 118.372 1.086 . . . . 0.0 112.153 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -155.13 -3.51 0.15 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.588 0.755 . . . . 0.0 111.805 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.67 -171.7 43.85 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 67.13 26.86 8.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.652 1.581 . . . . 0.0 107.882 -174.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.88 150.14 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.97 173.41 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 122.102 0.953 . . . . 0.0 110.703 173.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -123.08 139.92 53.57 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 113.665 -1.607 . . . . 0.0 107.473 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD13 ' H ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -124.21 144.38 49.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.992 0.517 . . . . 0.0 110.503 -169.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' NH2' ' H22' ' B' ' 2' ' ' ' G' . 0.0 OUTLIER -151.55 92.68 1.79 Allowed 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 165.77 35.72 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 119.294 -1.432 . . . . 0.0 113.808 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 17.2 mt 69.42 164.45 0.13 Allowed Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.737 1.615 . . . . 0.0 112.49 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 18' ' ' LEU . 93.6 Cg_exo -47.87 -167.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 1 C-N-CA 126.71 4.94 . . . . 0.0 115.423 172.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.33 1.01 0.09 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.093 1.145 . . . . 0.0 114.093 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 t -151.06 159.9 44.24 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.893 0.769 . . . . 0.0 111.151 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -158.91 171.37 20.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.148 0.979 . . . . 0.0 109.23 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -143.14 160.46 40.38 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.048 0.539 . . . . 0.0 110.303 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.44 HG13 ' H ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -68.6 -16.44 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.442 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.72 -26.58 29.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.884 0.311 . . . . 0.0 111.596 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.99 -39.27 30.4 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -67.3 -39.59 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -71.41 -26.08 62.61 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.282 0.947 . . . . 0.0 111.447 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -23.83 62.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 117.659 0.208 . . . . 0.0 110.739 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 73' ' ' LYS . 54.2 t80 -88.51 -34.93 17.25 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -83.93 54.56 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -56.61 154.09 9.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.482 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 59.18 -7.98 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.479 1.912 . . . . 0.0 114.115 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.3 m -86.67 -176.4 5.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 118.732 0.697 . . . . 0.0 110.379 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.1 m -131.32 152.28 50.72 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' HG22 ' A' ' 36' ' ' ILE . 28.2 mt -122.27 32.52 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 121.56 0.695 . . . . 0.0 110.278 -165.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 t60 63.62 -41.77 0.22 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 113.98 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -151.61 -7.7 0.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.41 1.084 . . . . 0.0 111.75 172.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 41' ' ' ALA . . . 96.56 -121.67 7.09 Favored Glycine 0 C--N 1.34 0.773 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -177.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 4.42 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.893 0.877 . . . . 0.0 112.384 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 39' ' ' GLY . . . -122.85 19.34 10.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.352 1.061 . . . . 0.0 110.82 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.18 0.05 4.73 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.05 156.6 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 117.311 0.555 . . . . 0.0 109.559 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 88.7 m-70 -152.65 160.38 43.17 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.599 0.759 . . . . 0.0 109.301 173.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.03 170.14 16.49 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.18 0.592 . . . . 0.0 109.708 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.525 HD11 ' CE2' ' A' ' 58' ' ' PHE . 8.9 mt -135.95 59.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.124 0 CA-C-O 121.33 0.586 . . . . 0.0 111.359 -171.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.48 ' HB2' ' H ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -149.98 -173.16 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.764 -174.39 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 50.5 p -139.41 176.23 8.89 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-O 121.052 0.454 . . . . 0.0 111.002 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -57.52 -17.66 14.92 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.023 0.929 . . . . 0.0 112.897 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -144.78 35.33 1.14 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.04 0.536 . . . . 0.0 110.491 173.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.15 -44.56 2.57 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-O 119.339 -0.701 . . . . 0.0 112.418 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 81.33 11.61 0.79 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.633 1.573 . . . . 0.0 112.816 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.48 ' H ' ' HB2' ' A' ' 47' ' ' TYR . 4.0 mp0 -87.64 11.99 13.74 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.441 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 12.7 p -59.15 2.33 0.06 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.75 -1.33 73.91 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.42 137.19 54.45 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 44' ' ' HIS . . . -161.12 -178.49 6.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.437 0.637 . . . . 0.0 112.39 -169.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CE2' HD11 ' A' ' 46' ' ' ILE . 97.4 m-85 -137.33 162.99 32.07 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.146 0.978 . . . . 0.0 108.393 172.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.7 t -145.14 110.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.73 149.52 39.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 mt -125.17 -163.97 1.24 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.411 0.284 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -120.36 -20.62 3.56 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.036 -0.869 . . . . 0.0 113.99 -175.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -150.25 168.12 24.97 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 118.887 1.344 . . . . 0.0 111.698 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.39 -32.75 71.61 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.306 0.643 . . . . 0.0 109.912 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.78 -29.85 69.91 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.717 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -76.65 -36.99 57.03 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -70.74 -38.46 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.5 -47.43 84.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.404 0.547 . . . . 0.0 110.195 175.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.3 mtm -65.71 -28.99 69.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.28 -26.51 61.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.127 0.422 . . . . 0.0 111.632 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.1 mt -82.06 -14.57 55.67 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.314 0.646 . . . . 0.0 111.951 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -68.2 -1.14 5.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -130.38 22.78 5.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 123.305 0.642 . . . . 0.0 110.523 -178.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.2 p-10 -48.2 -9.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 28.5 ptt-85 -162.29 21.66 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.227 1.376 . . . . 0.0 113.52 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -72.67 -164.24 0.15 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.321 0.51 . . . . 0.0 110.783 174.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.507 ' C ' ' H ' ' A' ' 79' ' ' GLY . 78.6 p -119.76 -0.14 10.78 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -163.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 50.3 ttm 64.11 -24.97 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.937 1.295 . . . . 0.0 112.002 -174.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 77' ' ' SER . . . 136.92 -20.64 3.41 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.775 0.702 . . . . 0.0 111.886 178.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -149.14 3.27 0.59 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.632 ' HG3' ' H ' ' A' ' 82' ' ' TYR . 9.9 tpt180 -147.58 -132.37 0.07 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.054 0.843 . . . . 0.0 110.697 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.632 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 1.6 t80 -159.51 123.56 3.83 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 6.1 mm -122.26 168.28 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -177.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -148.25 151.49 35.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -145.43 150.33 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.88 161.13 41.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 171.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -68.27 155.91 38.76 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.9 t -135.53 -179.95 5.96 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -154.09 18.96 0.5 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.939 -0.476 . . . . 0.0 111.827 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.6 ttm105 70.23 -35.49 0.32 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.575 1.55 . . . . 0.0 113.595 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.9 m -64.28 -37.73 88.54 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 119.188 0.904 . . . . 0.0 110.133 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -70.13 -41.22 74.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.5 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 60.3 ttp -60.55 -47.58 85.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.49 -28.64 69.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.352 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -79.76 -21.62 44.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.43 -10.66 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 118.323 0.511 . . . . 0.0 111.993 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 99' ' ' HIS . 0.5 OUTLIER -62.14 -11.32 13.68 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.754 -0.591 . . . . 0.0 110.546 172.562 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -71.28 26.94 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.661 1.184 . . . . 0.0 111.384 174.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.45 ' H ' ' C ' ' A' ' 97' ' ' LEU . 22.4 m80 61.64 21.07 11.84 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.647 1.179 . . . . 0.0 112.016 -176.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.7 t 57.27 179.96 0.05 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.527 1.131 . . . . 0.0 112.729 -177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -176.62 -179.72 47.2 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--O 1.252 1.18 0 C-N-CA 124.93 3.753 . . . . 0.0 112.978 178.014 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.519 ' N3 ' " H2'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 N19-C1'-C2' 119.52 3.825 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.561 ' H22' ' NH2' ' A' ' 16' ' ' ARG . . . . . . . . 0 O4'--C4' 1.41 -3.544 2 O4'-C1'-N19 113.322 5.122 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 1 O4'-C1'-N19 112.272 4.072 . 0.219 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 111.456 3.256 . 0.01 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.512 " H1'" ' C6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.699 1 C4'-C3'-C2' 98.663 -4.037 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.512 ' C6 ' " H1'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.698 1 C3'-C2'-C1' 97.8 -4.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 stop_ save_