data_2row_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 2row _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.617 0.246 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.52 119.76 17.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.055 0.455 . . . . 0.0 111.244 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mp -75.83 105.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.558 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.4 135.7 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -155.07 -175.82 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.655 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.2 ptpp? -50.6 90.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.51 13.34 30.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.783 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -126.05 135.77 52.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.105 0.479 . . . . 0.0 112.084 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.55 78.41 1.59 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 3.3 m-85 -67.56 160.44 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.356 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' GLU . 3.9 mm -130.69 132.88 24.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.973 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.07 114.5 3.61 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.328 2.019 . . . . 0.0 112.222 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -158.07 164.34 36.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 71.4 mt -111.34 157.75 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 10.3 m-85 -137.06 96.27 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -15.25 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -99.7 167.23 11.44 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.622 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.35 99.41 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.677 2.252 . . . . 0.0 112.519 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 29.3 m -113.09 137.04 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.0 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -100.63 134.48 43.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 111.705 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 147.18 39.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.881 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -85.96 -34.74 20.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.416 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 -89.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.5 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.4 p -79.33 -168.01 1.38 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.748 0.309 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -115.77 58.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.14 159.03 72.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.28 136.73 29.66 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.541 2.16 . . . . 0.0 112.613 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' O ' ' HB ' ' A' ' 36' ' ' THR . 0.9 OUTLIER -117.93 103.87 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.597 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.439 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 56.1 p-90 167.95 -178.29 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.5 132.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.751 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -40.97 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -81.61 -74.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -114.8 94.97 39.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 37.5 Cg_endo -66.39 122.55 10.03 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.5 2.133 . . . . 0.0 112.133 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.72 151.08 63.3 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.471 2.114 . . . . 0.0 112.174 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.02 92.45 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.407 2.071 . . . . 0.0 111.79 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.69 143.34 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 37.7 mt -105.74 112.38 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.7 tt0 -97.9 139.76 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.116 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.7 t -80.6 134.79 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.652 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.29 30.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.76 -74.09 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.4 -7.37 58.98 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.508 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.3 m170 68.14 81.32 0.19 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.095 0.474 . . . . 0.0 111.308 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 pt -138.13 -174.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -149.7 147.95 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.045 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -158.02 121.41 3.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.48 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.758 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -42.5 133.59 3.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -30.52 18.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -50.83 -46.76 60.16 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.78 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.758 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 10.3 m-70 -51.33 -51.29 55.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.248 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.2 tpp -62.53 -46.73 87.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.06 -29.71 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -94.25 -19.54 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm 63.88 74.72 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.386 . . . . 0.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -101.45 127.53 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -22.44 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.425 HD12 ' CE1' ' A' ' 68' ' ' HIS . 14.0 pt -48.59 -34.49 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.584 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.409 HG23 HD13 ' A' ' 76' ' ' ILE . 43.8 mt -65.66 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -118.89 164.76 19.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 111.268 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 38.8 Cg_endo -68.97 157.58 61.31 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.655 2.237 . . . . 0.0 112.478 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.5 t -62.23 146.31 51.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.511 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -95.94 -40.49 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.829 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.298 . . . . 0.0 111.498 -179.653 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.688 0.28 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -146.31 118.5 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.146 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.84 105.59 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.559 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -77.97 137.34 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -156.1 -169.45 3.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -53.1 88.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.211 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.45 12.05 37.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.918 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.75 138.33 54.29 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.176 0.513 . . . . 0.0 112.203 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.87 77.77 1.75 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.987 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 25' ' ' HIS . 2.7 m-85 -67.57 160.46 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.26 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 HG21 ' A' ' 28' ' ' ILE . 3.9 mm -128.55 130.92 23.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.102 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.07 112.04 2.84 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.571 2.181 . . . . 0.0 112.186 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -156.93 170.39 22.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 0.0 111.454 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 74.2 mt -113.45 157.74 21.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.549 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 9.6 m-85 -134.58 107.37 7.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.406 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 3.3 m-70 -79.95 -5.94 56.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.339 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -110.69 169.33 6.44 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.4 106.55 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.784 2.323 . . . . 0.0 112.624 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.2 m -121.68 141.45 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.212 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.68 141.23 36.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.14 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -87.17 148.37 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.389 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.74 -38.45 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.65 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.329 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.79 -164.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.705 0.288 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -119.46 47.42 1.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.75 159.82 44.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.38 141.66 43.28 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 36' ' ' THR . 25.2 tp -121.8 101.02 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 169.61 -177.94 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.94 143.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -41.81 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.21 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.98 -78.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.168 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -112.13 95.56 30.65 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.242 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 38.1 Cg_endo -66.57 125.73 14.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.357 2.038 . . . . 0.0 112.238 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 156.41 56.43 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.497 2.131 . . . . 0.0 112.186 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.37 91.91 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.539 2.159 . . . . 0.0 112.09 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.8 139.15 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 26.0 mt -100.83 110.66 22.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.3 tt0 -97.3 139.94 32.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.402 ' CB ' ' CG1' ' A' ' 62' ' ' ILE . 41.1 t -80.78 134.27 35.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.574 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 30.79 1.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -135.39 -73.52 0.46 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 25.1 p -86.72 -6.05 58.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.669 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 1.7 m-70 67.24 81.05 0.2 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.092 0.472 . . . . 0.0 111.326 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.56 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 3.9 pt -138.68 -179.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.757 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -148.18 145.56 28.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 111.267 179.743 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 65' ' ' HIS . 7.2 p -158.67 113.89 2.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.758 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.21 134.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 0.0 111.992 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -30.65 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -47.03 51.15 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.573 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.758 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.6 m-70 -52.1 -52.96 48.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.038 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.4 tpp -63.42 -50.87 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.24 -28.63 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -94.91 -17.42 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.37 79.21 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.779 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -108.12 121.51 44.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.05 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.55 -22.77 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -47.74 -28.58 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.428 HG23 HD12 ' A' ' 76' ' ' ILE . 44.8 mt -72.8 129.75 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.44 164.89 13.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 30.9 Cg_endo -65.08 157.51 56.89 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.544 2.163 . . . . 0.0 112.457 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.58 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.4 t -58.02 146.38 32.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.664 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -88.12 -41.88 12.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.837 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.331 -0.227 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.578 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.79 0.329 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.65 117.33 16.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.962 0.411 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.86 111.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.895 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.13 134.64 35.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.427 ' CD2' ' HE3' ' A' ' 69' ' ' MET . 2.6 t60 -165.96 109.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 29.82 80.5 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.34 10.19 40.68 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.699 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.99 133.53 54.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.415 0.608 . . . . 0.0 112.014 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.29 70.99 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.8 m-85 -61.73 160.28 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.8 mm -128.47 133.45 25.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.56 114.77 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.372 2.048 . . . . 0.0 112.55 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -154.67 165.42 36.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.883 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 54.6 mt -115.05 152.81 31.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.425 ' CE1' ' HG2' ' A' ' 63' ' ' LYS . 25.1 m-85 -131.16 110.59 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -80.82 -12.63 59.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -104.94 170.56 5.85 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.87 108.95 0.71 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.658 2.239 . . . . 0.0 112.572 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -122.95 128.67 50.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -94.63 111.86 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.223 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -56.4 155.09 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.172 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.34 -36.16 14.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.08 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.493 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.9 p -80.07 -165.66 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.717 0.294 . . . . 0.0 111.157 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 mtm -101.76 -26.22 13.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.336 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.13 153.57 4.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.24 169.18 20.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.597 2.198 . . . . 0.0 112.57 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 6.6 tt -144.34 105.27 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 59.6 p-90 172.94 -178.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 111.208 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 51' ' ' PRO . 1.0 OUTLIER 179.65 137.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.468 179.778 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 mtm -86.13 -37.76 18.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -87.78 -76.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -111.64 95.45 27.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 40.9 Cg_endo -67.7 129.64 20.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.424 2.083 . . . . 0.0 112.004 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 151.56 56.82 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.496 2.13 . . . . 0.0 112.314 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.84 92.91 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.59 2.193 . . . . 0.0 112.265 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.87 158.12 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 43.3 mt -117.98 113.64 21.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.5 131.3 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.265 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.72 135.93 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -94.82 29.68 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.55 -74.8 0.47 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.1 p -88.39 -6.5 57.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.0 m170 67.13 87.63 0.12 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.879 0.371 . . . . 0.0 111.364 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -148.94 134.35 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.27 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.05 143.96 34.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.019 0.438 . . . . 0.0 111.771 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.6 m -155.19 129.8 9.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.022 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.775 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.91 133.98 8.25 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.995 0.426 . . . . 0.0 111.392 -179.353 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -30.75 23.41 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -50.42 -46.17 56.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.819 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.775 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.1 m-70 -52.27 -52.55 52.12 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.019 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.427 ' HE3' ' CD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.14 -47.38 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -29.96 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -87.24 -15.92 36.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.65 39.0 6.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.42 144.48 56.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.44 43.16 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.246 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.6 pt -115.71 -27.35 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.383 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 mt -73.49 140.35 17.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -121.3 164.31 24.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.183 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.35 158.16 41.85 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.549 2.166 . . . . 0.0 112.317 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.57 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -59.15 146.39 39.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -43.02 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.769 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.643 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.719 0.295 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.45 118.23 17.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.77 110.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -75.78 140.07 42.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' CE1' ' HE1' ' A' ' 69' ' ' MET . 1.9 t-80 -159.68 178.22 10.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.45 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.7 ptpp? -47.43 93.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 58.19 14.94 20.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.7 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -125.98 137.89 53.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.13 0.491 . . . . 0.0 112.105 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.04 77.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.732 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.2 m-85 -67.67 160.5 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.341 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.416 HD11 HG21 ' A' ' 28' ' ' ILE . 5.2 mm -129.75 133.76 25.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.096 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.12 116.63 4.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.504 2.136 . . . . 0.0 112.549 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.46 163.86 39.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.884 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 mt -111.18 155.78 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.588 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.426 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.4 m-85 -137.5 96.61 3.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.206 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -68.8 -14.96 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -102.42 160.97 24.72 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.81 109.73 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.684 2.256 . . . . 0.0 112.574 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 2.8 m -121.88 132.93 54.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.957 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -94.39 114.33 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 111.552 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 163.23 3.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.912 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.87 -34.94 10.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.506 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 75' ' ' ILE . . . -60.8 -85.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.548 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.5 p -80.42 -167.6 1.4 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.91 0.386 . . . . 0.0 111.096 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 mmt -100.69 -25.42 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -53.17 154.2 5.83 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.75 171.34 15.74 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.598 2.199 . . . . 0.0 112.544 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 HD12 ' CG ' ' A' ' 65' ' ' HIS . 6.8 tt -143.07 100.57 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 177.88 -176.34 0.18 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.078 0.466 . . . . 0.0 111.205 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.03 140.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.527 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.2 mtm -88.42 -41.06 13.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.207 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -82.4 -77.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -114.34 96.52 43.12 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.076 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.22 122.97 11.37 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.35 2.033 . . . . 0.0 112.112 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.17 155.71 68.4 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.591 2.194 . . . . 0.0 112.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.05 93.74 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.538 2.159 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.48 157.09 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 39.0 mt -118.19 116.27 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.28 137.04 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.547 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 48.4 t -77.63 135.02 38.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.28 29.25 2.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.65 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -135.98 -73.47 0.45 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.15 -4.87 57.03 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.545 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m80 65.92 90.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 111.284 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.43 HD12 ' CE1' ' A' ' 25' ' ' HIS . 13.6 pt -151.7 138.61 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.329 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -103.57 147.74 26.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.989 0.424 . . . . 0.0 111.509 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 64.1 m -158.1 122.5 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.81 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -46.33 136.16 7.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -30.84 19.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.64 -46.25 63.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.81 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 11.9 m-70 -53.49 -53.32 53.15 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.105 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.424 ' HE1' ' CE1' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.4 -44.59 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -30.59 69.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -92.18 -13.25 30.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.05 37.35 6.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.701 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.53 142.18 28.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.17 37.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 8.4 pt -112.13 -21.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.252 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.2 mt -76.72 148.94 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.33 164.01 32.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.058 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 30.3 Cg_endo -64.82 148.75 90.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.528 2.152 . . . . 0.0 112.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.597 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 6.1 t -54.65 146.43 16.71 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -40.71 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.44 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 59' ' ' ARG . 34.8 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.471 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.725 0.298 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -133.05 117.56 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.912 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.85 110.07 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.048 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.17 134.54 36.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 13.8 t60 -166.45 110.75 0.78 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.26 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt 29.49 79.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.39 11.67 48.17 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.49 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.74 134.16 53.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.397 0.598 . . . . 0.0 112.084 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.2 71.32 1.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.468 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.0 m-85 -61.68 160.37 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.853 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mm -129.17 132.38 24.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.076 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.64 114.67 3.76 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.48 2.12 . . . . 0.0 112.403 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 t -155.5 168.04 28.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 mt -111.27 157.29 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 49.3 m-85 -135.99 111.32 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.028 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -86.47 -12.78 48.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.393 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -105.99 165.44 13.04 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.16 103.1 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.768 2.312 . . . . 0.0 112.867 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 17.0 m -119.81 141.29 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.034 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -101.17 146.32 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 143.76 26.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.229 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.47 -37.05 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.1 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.343 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -81.89 -169.91 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.1 mmt -95.94 -24.42 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 156.13 7.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.36 -167.97 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 36' ' ' THR . 36.6 tp -160.57 104.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.722 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 170.5 176.61 0.06 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.91 127.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -82.32 -48.42 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.05 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.94 -73.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -121.81 93.77 48.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.01 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.48 119.81 6.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.47 2.113 . . . . 0.0 112.111 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.32 154.83 71.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.583 2.188 . . . . 0.0 112.364 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.33 94.85 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.055 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.55 158.11 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 41.0 mt -117.15 109.47 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -97.23 133.25 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.178 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.77 134.99 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.631 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.8 29.3 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.58 -78.65 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 18.8 p -84.79 -7.9 59.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.289 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 36.2 m-70 69.19 94.43 0.07 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.941 0.4 . . . . 0.0 111.295 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 62' ' ' ILE . 1.8 pt -156.85 133.81 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.685 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 6.5 mptt -101.71 146.83 27.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.357 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.0 m -157.77 117.36 3.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.765 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.48 132.53 0.82 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.981 0.42 . . . . 0.0 111.779 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -30.65 23.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -49.11 -45.49 43.52 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.755 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.765 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 11.6 m-70 -53.52 -50.34 65.65 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.021 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.3 tpp -63.92 -49.56 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -29.91 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -90.1 -15.59 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.401 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.69 37.35 5.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.922 0.392 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.37 141.08 43.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -91.71 41.4 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.417 HD12 ' CE1' ' A' ' 68' ' ' HIS . 9.5 pt -115.41 -32.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.096 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 37.3 mt -64.82 138.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.56 164.55 18.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.37 159.02 37.54 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.598 2.198 . . . . 0.0 112.294 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.597 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.2 t -59.32 146.51 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.26 -41.47 14.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.385 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.647 0.26 . . . . 0.0 111.198 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.84 0.352 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.68 118.41 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mp -75.78 109.92 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.93 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -78.17 133.74 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.446 ' CD2' ' CG ' ' A' ' 23' ' ' LYS . 69.8 t60 -165.51 109.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' CG ' ' CD2' ' A' ' 22' ' ' HIS . 0.9 OUTLIER 30.05 79.85 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.79 10.89 40.74 Favored Glycine 0 CA--C 1.515 0.094 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.601 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.97 133.36 54.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.322 0.561 . . . . 0.0 111.871 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.67 71.99 1.0 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.282 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 9.6 m-85 -60.27 160.26 8.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.024 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.413 HG21 HD12 ' A' ' 28' ' ' ILE . 3.5 mm -129.87 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 114.1 3.49 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 C-N-CA 122.422 2.081 . . . . 0.0 112.434 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.1 166.18 34.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.1 mt -111.33 158.55 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 67.2 m-85 -135.38 111.99 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.421 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 53.4 m170 -83.56 -13.99 53.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -106.3 166.19 11.65 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 27.7 Cg_exo -62.25 103.25 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.778 2.319 . . . . 0.0 112.713 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 9.2 m -116.35 140.79 48.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.871 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -99.74 143.65 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 111.639 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 138.79 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.36 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.336 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.6 p -80.33 -166.15 1.0 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.854 0.359 . . . . 0.0 111.055 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtt -102.25 -23.93 13.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 150.84 7.02 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.41 165.91 28.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.525 2.15 . . . . 0.0 112.525 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 36' ' ' THR . 35.6 tp -137.68 101.89 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.413 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 50.4 p-90 169.58 -178.28 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 111.059 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.69 151.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.589 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.04 -47.41 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -72.5 -71.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -121.99 94.84 47.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 28.7 Cg_endo -63.18 126.74 18.5 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.422 2.081 . . . . 0.0 112.105 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.58 154.36 49.82 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.471 2.114 . . . . 0.0 112.281 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.46 91.78 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.373 2.049 . . . . 0.0 112.17 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.8 146.8 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 30.0 mt -108.48 115.32 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.0 134.83 43.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.983 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.8 t -74.61 137.0 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.721 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.05 32.64 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.53 -78.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 p -84.68 -10.26 57.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.357 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 71.89 93.26 0.08 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.943 0.401 . . . . 0.0 111.036 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' ' 62' ' ' ILE . 2.1 pt -155.32 132.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 1.5 mptt -100.25 146.74 26.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.926 0.393 . . . . 0.0 111.317 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 55.7 m -158.11 116.33 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.636 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.771 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.17 132.85 0.71 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.942 0.401 . . . . 0.0 111.786 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -30.58 22.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -49.24 -46.64 46.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.742 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.771 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.4 m-70 -52.3 -49.59 63.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.995 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.418 ' HE2' ' CG ' ' A' ' 22' ' ' HIS . 30.7 tpp -63.65 -48.73 76.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.17 -31.02 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -89.34 -16.55 30.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 48.34 3.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.947 0.403 . . . . 0.0 110.802 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.53 142.99 56.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.35 43.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.6 pt -117.22 -37.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.7 mt -63.23 126.51 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.99 164.36 15.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.55 159.38 40.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.209 . . . . 0.0 112.405 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.579 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 6.6 t -61.02 146.46 47.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.66 -47.39 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.456 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.747 0.308 . . . . 0.0 111.326 -179.603 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.775 0.321 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.68 118.27 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.87 110.99 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.26 132.8 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.2 t-80 -165.01 111.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 3.0 ptpt 30.09 79.9 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.92 12.15 34.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.641 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.8 133.69 54.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.256 0.528 . . . . 0.0 111.81 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.03 72.65 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.463 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.5 m-85 -61.52 160.27 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.2 mm -128.55 131.68 23.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.69 113.67 3.26 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.382 2.055 . . . . 0.0 112.195 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -156.89 165.87 34.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 51.9 mt -111.21 152.2 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 2.3 m-85 -128.12 108.79 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.414 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -81.24 -10.02 59.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -108.07 166.74 10.39 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.702 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 26.4 Cg_exo -62.7 102.28 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.574 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -115.09 130.33 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.226 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -93.63 122.89 36.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.113 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 153.04 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.482 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -30.75 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.247 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 75' ' ' ILE . . . -64.94 -91.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.673 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.8 -169.56 1.81 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.979 0.419 . . . . 0.0 111.271 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -97.45 -25.86 15.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 151.02 4.77 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.18 156.63 59.08 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.564 2.176 . . . . 0.0 112.691 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' HB ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -125.91 100.6 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.634 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.415 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 58.1 p-90 169.41 -179.65 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.31 126.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -79.24 -46.53 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.56 -68.59 0.42 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -126.22 93.53 43.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.054 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.438 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.8 Cg_endo -65.17 121.41 8.86 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.441 2.094 . . . . 0.0 112.057 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 157.59 57.69 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.479 2.119 . . . . 0.0 112.186 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.37 93.17 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.545 2.163 . . . . 0.0 112.157 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 65' ' ' HIS . . . -90.94 152.65 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 21.0 mt -114.04 116.88 29.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.336 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HG3' ' HG3' ' A' ' 63' ' ' LYS . 34.7 tt0 -103.67 138.97 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.42 ' CB ' HG13 ' A' ' 62' ' ' ILE . 34.7 t -77.69 135.25 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.427 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.43 32.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.33 -79.22 0.35 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 p -83.38 -8.85 59.34 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.564 0.221 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.58 92.44 0.08 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 pt -153.42 132.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -99.53 148.03 24.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.557 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.4 m -158.36 118.69 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.697 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.846 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -41.89 135.18 2.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.918 0.389 . . . . 0.0 111.122 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -30.67 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.64 -45.77 58.02 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.771 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.846 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.6 m-70 -54.11 -47.22 72.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.072 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.417 ' HE3' ' CG ' ' A' ' 22' ' ' HIS . 25.8 tpp -66.25 -50.12 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -30.66 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.98 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -86.89 -19.29 29.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 49.87 3.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.84 147.33 45.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.39 39.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.224 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 5.4 pt -112.44 -28.06 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.18 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.9 mt -74.06 128.13 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.58 163.35 17.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 32.4 Cg_endo -65.65 164.84 25.04 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.672 2.248 . . . . 0.0 112.48 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -69.49 146.25 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -97.55 -43.12 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.503 -179.768 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.778 0.323 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.35 116.47 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.411 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.68 109.44 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.81 132.92 37.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 52.0 t-80 -165.91 110.04 0.82 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.112 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 4.2 ptpt 30.58 80.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.73 12.11 39.72 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.618 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.88 133.06 53.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.4 0.6 . . . . 0.0 111.89 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.67 71.61 1.04 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.252 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 12.1 m-85 -60.72 160.3 9.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.886 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.4 mm -126.45 131.07 23.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.217 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.84 110.48 2.58 Favored 'Trans proline' 0 CA--C 1.517 -0.336 0 C-N-CA 122.523 2.149 . . . . 0.0 112.133 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 t -153.89 171.66 18.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 56.9 mt -114.21 156.76 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CZ ' ' HE2' ' A' ' 63' ' ' LYS . 1.6 m-85 -134.13 107.29 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -80.05 -18.51 49.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -99.49 169.89 7.53 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.752 0.311 . . . . 0.0 110.764 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.56 108.41 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.728 2.286 . . . . 0.0 112.546 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m -124.25 139.87 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.066 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -97.41 143.06 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -91.33 149.5 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -87.31 -40.72 14.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.7 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.41 -166.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.6 mmt -102.6 -23.95 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -53.79 156.76 4.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 175.24 9.82 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.636 2.224 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.428 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 51.0 tp -146.87 101.91 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.428 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 41.7 p-90 172.03 -178.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.37 145.54 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -41.96 8.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.086 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -82.13 -77.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -113.03 95.59 35.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.059 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.431 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 37.8 Cg_endo -66.35 123.17 10.81 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.473 2.115 . . . . 0.0 112.144 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 154.69 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.306 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.03 93.29 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.526 2.151 . . . . 0.0 112.149 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.91 146.51 23.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 30.3 mt -107.37 111.13 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -99.87 131.21 45.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.117 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.414 ' CB ' HG13 ' A' ' 62' ' ' ILE . 40.2 t -71.62 137.73 48.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.23 31.7 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.795 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -75.79 0.43 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.5 p -86.94 -10.65 52.74 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.416 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.58 89.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.414 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -151.78 133.04 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.516 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 5.0 mptt -101.96 146.08 28.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.587 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' HIS . 25.3 p -158.54 111.23 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.486 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.734 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -30.09 135.3 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.081 0.467 . . . . 0.0 112.238 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.56 41.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -45.52 46.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.734 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.1 m-70 -53.26 -49.96 65.81 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.018 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 42.1 tpp -62.61 -51.37 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.3 -28.96 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -92.46 -18.16 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.93 46.53 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.92 0.391 . . . . 0.0 110.741 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.11 123.1 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.6 -22.79 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.972 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.9 pt -47.96 -28.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.494 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.27 130.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.78 165.31 13.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.013 0.435 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 32.7 Cg_endo -65.79 164.83 25.41 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.606 2.204 . . . . 0.0 112.52 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.8 t -65.02 146.28 55.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -40.84 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.683 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.696 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.756 0.312 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -141.49 117.95 10.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.957 0.408 . . . . 0.0 111.139 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.88 110.83 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.14 138.77 38.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.412 ' CD2' ' HE2' ' A' ' 69' ' ' MET . 4.2 t60 -157.91 -174.18 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -50.89 91.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.15 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.59 13.81 25.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.759 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.82 138.58 54.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.283 0.564 . . . . 0.0 112.251 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -126.33 76.7 1.63 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.797 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.9 m-85 -66.67 160.4 25.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.408 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.403 HD12 HG23 ' A' ' 28' ' ' ILE . 3.9 mm -129.27 132.88 24.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.153 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.25 114.92 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.598 2.198 . . . . 0.0 112.678 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.4 HG22 ' CE2' ' A' ' 32' ' ' TYR . 11.1 t -154.57 163.66 39.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -111.14 156.98 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.778 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 57.0 m-85 -136.14 117.02 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -91.02 -6.85 53.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.347 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 1.4 m-85 -110.9 171.39 4.38 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.709 0.29 . . . . 0.0 110.641 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.436 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 35.7 Cg_exo -61.58 96.84 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.854 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 13.3 m -110.15 128.02 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.924 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -94.02 116.03 28.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.396 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.77 164.75 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.973 179.36 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 -31.86 9.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.64 0.257 . . . . 0.0 111.515 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HB1' ' CD2' ' A' ' 68' ' ' HIS . . . -63.13 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.639 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -81.29 -170.84 2.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.95 0.405 . . . . 0.0 111.171 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 mtt -112.08 43.61 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.32 156.05 55.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.16 141.12 42.81 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.502 2.135 . . . . 0.0 112.595 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.432 HD11 ' CG ' ' A' ' 65' ' ' HIS . 6.5 tt -118.74 108.19 14.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.436 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 38.6 p-90 172.09 175.87 0.09 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.911 0.386 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.98 121.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.65 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.3 ptp -74.75 -44.6 48.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -69.29 -69.72 0.32 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.132 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -127.11 93.71 40.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.82 120.09 7.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.492 2.128 . . . . 0.0 112.088 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.66 154.78 72.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.579 2.186 . . . . 0.0 112.257 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.25 94.12 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.473 2.115 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.73 157.75 17.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 39.5 mt -118.57 115.95 25.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -102.19 133.86 46.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.173 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.1 t -74.6 136.01 42.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.612 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 31.12 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.684 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.02 -78.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.426 ' HB3' HG23 ' A' ' 81' ' ' VAL . 20.6 p -83.82 -7.92 59.34 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.515 0.198 . . . . 0.0 111.343 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 13.1 m-70 67.72 91.01 0.09 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.966 0.412 . . . . 0.0 111.2 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.404 HD12 ' CE1' ' A' ' 25' ' ' HIS . 1.1 pt -151.95 134.85 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.433 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 3.2 mptt -102.79 145.57 29.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.67 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.2 m -155.91 125.54 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.136 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.813 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.81 135.17 7.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 111.19 -179.621 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -30.86 22.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -50.82 -45.7 59.6 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.791 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.813 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.7 m-70 -53.86 -48.42 70.02 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.023 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.416 ' HE3' ' CE2' ' A' ' 27' ' ' PHE . 50.4 tpp -68.05 -47.9 67.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.992 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.51 -30.95 68.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.91 -17.61 29.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.6 38.22 4.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.42 141.63 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.9 42.7 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.1 pt -117.3 -19.73 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.452 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.3 mt -77.7 138.63 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.053 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.08 163.56 18.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 30.5 Cg_endo -64.62 154.05 74.21 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.645 2.23 . . . . 0.0 112.162 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -55.24 146.39 19.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.709 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -93.07 -30.46 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.013 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' ' 60' ' ' CYS . 33.7 m . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -147.69 115.97 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mp -75.62 108.84 8.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.35 141.41 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.31 -172.41 3.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.666 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.1 ptpp? -53.71 89.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.181 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.19 12.8 39.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.12 138.82 54.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.139 0.495 . . . . 0.0 112.197 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.6 76.72 1.65 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.98 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.8 m-85 -66.87 160.51 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.281 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.9 mm -126.93 131.81 24.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.777 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.04 115.59 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.538 2.159 . . . . 0.0 112.487 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -156.89 168.36 27.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.6 mt -111.21 158.24 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 51.6 m-85 -135.98 115.01 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -20.05 28.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -102.73 161.05 24.38 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 13.2 Cg_endo -56.51 113.76 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.649 2.233 . . . . 0.0 112.423 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.414 HG23 ' CG ' ' A' ' 63' ' ' LYS . 1.2 m -124.83 126.34 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.156 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -84.25 121.21 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 150.17 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.212 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.37 -27.98 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.46 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 -93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.52 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.0 p -78.5 171.6 14.87 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-O 120.899 0.381 . . . . 0.0 111.106 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mtt -79.78 -23.6 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 147.28 27.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 154.41 62.92 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.552 2.168 . . . . 0.0 112.596 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 5.9 tt -122.68 102.89 8.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.419 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.2 p-90 175.79 -177.28 0.12 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.88 132.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.511 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 mtm -85.2 -43.26 13.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -74.6 -75.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -119.35 95.37 49.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.045 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.3 121.43 9.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.432 2.088 . . . . 0.0 112.022 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.83 158.05 59.01 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.29 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.28 94.0 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.172 . . . . 0.0 112.112 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.68 160.65 15.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 31.7 mt -122.9 116.14 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 14.6 tt0 -102.57 135.01 44.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -75.65 135.0 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.543 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -94.8 30.52 2.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.47 -75.99 0.45 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.6 p -88.55 -4.87 58.5 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.505 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 5.2 m-70 66.17 91.79 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.383 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -152.0 134.6 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.297 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -101.54 147.26 26.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 0.0 111.741 -179.248 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.3 m -158.31 123.69 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.62 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.865 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.02 137.36 7.6 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.941 -179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -30.92 24.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.43 -45.13 62.5 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.644 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.865 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 15.1 m-70 -56.19 -43.28 78.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.897 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.414 ' CE ' ' CE2' ' A' ' 27' ' ' PHE . 37.5 tpp -70.55 -53.15 17.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -56.02 -30.0 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.038 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -89.74 -20.36 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.78 64.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 0.0 110.673 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -92.38 127.47 37.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -22.27 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 pt -48.97 -27.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.633 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.5 mt -74.89 139.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.46 164.7 20.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 35.0 Cg_endo -66.56 157.22 61.78 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.56 2.174 . . . . 0.0 112.388 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.583 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.6 t -59.17 146.36 39.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -91.54 -46.89 7.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.722 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 111.482 -179.492 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.696 0.284 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.75 115.94 10.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.97 112.72 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.805 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -81.9 132.56 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.427 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 14.2 t-160 -164.59 109.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt 30.43 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.64 11.48 35.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.701 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.55 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.83 131.99 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.327 0.564 . . . . 0.0 111.769 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.83 69.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.161 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 25' ' ' HIS . 12.3 m-85 -59.12 160.23 6.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.978 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.8 mm -128.8 131.53 23.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.51 115.73 4.2 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.369 2.046 . . . . 0.0 112.483 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 t -156.51 164.68 37.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 61.1 mt -111.25 153.1 26.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.704 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.8 m-85 -128.93 112.18 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.422 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 6.1 m80 -82.02 -15.63 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -106.46 170.82 5.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.778 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 29.6 Cg_exo -61.58 109.79 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.691 2.261 . . . . 0.0 112.526 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 2.7 m -120.26 122.76 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.033 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.29 113.62 22.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 151.42 43.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -29.0 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.61 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB1' ' CD1' ' A' ' 75' ' ' ILE . . . -67.81 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.503 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 p -80.39 -175.09 4.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 mmt -93.28 -23.23 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 147.97 10.55 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.97 149.16 58.72 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.58 2.187 . . . . 0.0 112.359 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 36' ' ' THR . 6.3 tt -124.5 105.38 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.797 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.416 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 53.5 p-90 168.97 -178.3 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.078 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.86 161.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.639 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 ptp -111.39 -51.23 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.76 -56.79 4.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -130.7 93.45 31.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.197 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.2 Cg_endo -67.02 125.27 13.35 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.546 2.164 . . . . 0.0 112.205 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.85 155.9 61.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.582 2.188 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.52 95.22 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.143 . . . . 0.0 112.248 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.33 161.59 14.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 35.2 mt -122.37 118.3 28.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 tt0 -105.23 135.72 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.357 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.555 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 42.4 t -76.01 135.51 39.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.452 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HG3' ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -96.53 29.35 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.555 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -135.58 -73.3 0.46 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.2 p -89.87 -5.4 56.86 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.496 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.81 88.84 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.981 0.42 . . . . 0.0 111.497 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.477 HG13 ' HB2' ' A' ' 57' ' ' CYS . 1.6 pt -149.08 137.99 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -105.22 147.28 28.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.128 0.49 . . . . 0.0 111.63 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.4 m -158.13 124.83 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.448 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.844 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.16 137.63 7.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.802 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -30.88 21.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -45.94 64.57 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.745 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.844 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 14.2 m-70 -55.16 -43.13 73.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.868 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.3 tpp -70.65 -52.88 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.15 -32.99 64.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -85.77 -21.46 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? 64.11 40.53 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.13 145.98 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -87.64 46.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.2 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.414 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 6.3 pt -118.78 -30.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.297 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.9 mt -72.71 141.39 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.74 163.96 26.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.43 156.49 60.05 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.597 2.198 . . . . 0.0 112.421 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.55 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -62.3 146.42 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -32.07 12.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.487 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.838 -179.626 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.403 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.718 0.294 . . . . 0.0 110.742 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.89 118.2 21.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.83 111.19 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.991 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -81.44 135.57 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.3 t-80 -166.03 108.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.225 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 29.46 79.76 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 65.79 10.51 50.66 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.587 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.69 135.04 54.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.375 0.588 . . . . 0.0 112.054 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -124.13 71.06 1.11 Allowed 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 7.3 m-85 -62.59 160.29 14.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -128.78 133.17 24.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.049 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.5 Cg_endo -69.61 113.96 3.52 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.428 2.086 . . . . 0.0 112.382 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.1 t -154.72 165.94 34.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.945 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 70.4 mt -111.29 156.34 21.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.644 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 63.9 m-85 -135.41 106.46 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.191 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 2.2 m80 -81.75 -9.09 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -107.08 168.38 8.11 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.708 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.14 102.72 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.759 2.306 . . . . 0.0 112.733 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.9 m -119.58 142.64 48.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -102.36 147.57 26.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 111.445 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.1 143.4 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.186 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.85 -36.46 25.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.298 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.94 -168.5 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -25.6 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 155.86 7.0 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.79 -167.89 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.497 2.131 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' ' 36' ' ' THR . 31.7 tp -159.26 103.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 170.8 179.33 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 130.36 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.3 mtm -83.79 -42.97 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.21 -74.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -122.39 94.66 47.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.412 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 27.8 Cg_endo -62.55 120.5 8.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.9 154.62 70.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.578 2.185 . . . . 0.0 112.192 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.91 95.33 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.555 2.17 . . . . 0.0 112.167 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.74 158.96 16.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 42.8 mt -117.77 110.18 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -97.99 130.22 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.415 ' CB ' HG13 ' A' ' 62' ' ' ILE . 44.7 t -73.89 136.4 43.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.567 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -95.52 30.42 2.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.43 -75.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.001 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB3' HG23 ' A' ' 81' ' ' VAL . 21.6 p -86.98 -7.92 57.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.413 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 68.52 88.54 0.11 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -150.88 133.57 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 179.504 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 1.2 mptt -100.76 146.14 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.821 0.343 . . . . 0.0 111.259 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -157.51 118.18 3.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.767 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.73 132.93 0.86 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.927 0.394 . . . . 0.0 111.721 -179.712 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -30.66 22.98 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.2 -46.29 45.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.688 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.767 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.4 m-70 -52.87 -47.73 67.62 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.898 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.7 tpp -67.02 -53.74 28.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -25.77 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -97.6 -14.9 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.422 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.07 74.13 0.46 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -102.33 125.17 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -57.56 -22.79 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.024 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.405 HD12 ' CE1' ' A' ' 68' ' ' HIS . 14.8 pt -49.46 -30.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.465 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.3 mt -72.34 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.25 163.81 20.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.261 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.87 162.38 29.03 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.526 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.595 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.4 t -64.08 146.51 54.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -91.02 -39.24 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.554 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 60' ' ' CYS . 31.9 m . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -138.01 118.42 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.092 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.81 109.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.588 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -77.94 140.65 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -159.51 -173.78 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -52.45 90.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.41 14.22 33.37 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.732 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.591 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -125.29 138.53 54.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.187 0.517 . . . . 0.0 112.254 -179.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.27 79.2 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.87 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.1 m-85 -70.39 160.24 32.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.396 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.428 HG21 HD12 ' A' ' 28' ' ' ILE . 3.7 mm -128.83 133.03 24.75 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.062 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.45 113.77 3.24 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.55 2.167 . . . . 0.0 112.623 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -153.62 165.8 34.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.8 mt -111.28 157.23 20.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.707 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.0 m-85 -136.94 118.14 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -87.97 -19.68 26.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -98.46 169.43 8.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.21 102.82 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.735 2.29 . . . . 0.0 112.293 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.415 HG22 ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -112.13 123.28 49.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -85.45 114.91 22.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 151.1 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.249 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -30.53 26.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -93.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.564 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.2 p -77.8 -179.15 5.8 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 111.101 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -25.99 21.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 145.87 18.53 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 148.35 61.86 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.579 2.186 . . . . 0.0 112.486 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 5.9 tt -115.74 104.24 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.723 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.438 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 174.64 179.21 0.12 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.909 0.385 . . . . 0.0 111.051 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.408 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER 178.04 127.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.652 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.0 mtm -80.58 -44.76 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.048 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -70.75 -73.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.36 94.65 47.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.18 118.58 5.48 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.423 2.082 . . . . 0.0 112.109 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.408 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 39.2 Cg_endo -66.69 153.9 76.35 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.558 2.172 . . . . 0.0 112.138 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.59 94.71 0.15 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.503 2.136 . . . . 0.0 112.066 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 65' ' ' HIS . . . -90.59 164.13 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 36.3 mt -124.48 114.75 19.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -100.08 134.63 42.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.8 t -76.52 134.98 39.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.563 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -95.76 30.78 2.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -135.68 -77.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.405 ' CB ' HG12 ' A' ' 81' ' ' VAL . 19.7 p -86.28 -9.73 55.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.396 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 71.24 92.31 0.09 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.42 HD13 ' CE1' ' A' ' 25' ' ' HIS . 1.7 pt -154.47 136.12 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.543 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -101.95 147.98 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.112 0.482 . . . . 0.0 111.634 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -158.31 123.05 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.48 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.855 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -46.3 136.76 6.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.968 0.413 . . . . 0.0 111.002 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -51.69 -30.73 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.65 -46.51 58.44 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.644 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.855 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 15.5 m-70 -55.65 -42.77 75.5 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.853 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.9 tpp -70.71 -53.73 14.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.06 -30.57 62.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -90.92 -20.35 22.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.268 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 62.62 72.09 0.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.936 0.398 . . . . 0.0 110.632 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.27 126.07 43.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.49 -22.73 34.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.999 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 pt -49.86 -27.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.537 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.0 mt -75.35 133.4 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.93 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.29 164.12 16.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.985 0.421 . . . . 0.0 111.174 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 35.7 Cg_endo -66.6 156.51 65.27 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.57 2.18 . . . . 0.0 112.383 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.3 t -57.83 146.28 32.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -89.89 -42.3 11.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.869 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.405 HG12 ' CB ' ' A' ' 60' ' ' CYS . 34.4 m . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 120.829 0.347 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -131.54 118.58 20.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.933 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.91 109.45 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.045 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.08 134.35 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.419 ' CD2' ' HE3' ' A' ' 69' ' ' MET . 6.5 t60 -166.34 110.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.271 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 30.07 80.1 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.22 12.14 43.02 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.672 -0.775 . . . . 0.0 113.51 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.33 133.8 53.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.452 0.626 . . . . 0.0 111.99 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.08 72.64 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.239 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.5 m-85 -63.18 160.19 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.968 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.432 HD11 HG22 ' A' ' 28' ' ' ILE . 3.5 mm -129.1 132.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.238 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.52 112.62 2.89 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.509 2.14 . . . . 0.0 112.41 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.411 HG22 ' CE2' ' A' ' 32' ' ' TYR . 9.8 t -153.39 166.15 33.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.9 mt -111.22 156.36 21.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.6 m-85 -136.68 112.0 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 111.026 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -19.14 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.06 169.27 9.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.807 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.92 99.18 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.787 2.324 . . . . 0.0 112.591 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.0 m -114.14 138.09 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -99.3 139.6 34.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.387 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -86.83 141.17 29.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.363 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.53 -38.59 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.58 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.377 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 p -84.79 -168.03 2.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.0 mmt -98.56 -23.41 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 153.01 11.22 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.21 178.16 5.13 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.665 2.244 . . . . 0.0 112.4 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 42.6 tp -148.44 104.73 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.453 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 51.3 p-90 169.27 -178.16 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.84 134.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.1 mtm -91.6 -31.47 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -85.5 -69.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -125.76 93.84 43.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.3 120.98 8.63 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.516 2.144 . . . . 0.0 111.994 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.22 155.06 61.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.524 2.149 . . . . 0.0 112.28 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.03 94.16 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.473 2.115 . . . . 0.0 112.059 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.63 158.8 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 37.4 mt -119.08 109.79 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -98.19 131.17 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.286 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.41 ' CB ' HG13 ' A' ' 62' ' ' ILE . 43.6 t -74.27 136.0 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.2 30.44 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.19 -74.48 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -87.73 -14.1 40.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 76.07 89.41 0.08 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.372 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.41 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -153.19 134.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 2.2 mptt -102.38 146.41 28.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.946 0.403 . . . . 0.0 111.389 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' HIS . 6.1 p -158.68 113.97 2.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.756 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.723 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.54 134.78 0.09 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 112.085 -179.586 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -30.66 41.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -44.93 43.16 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.546 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.723 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.4 m-70 -53.97 -48.34 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.974 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.419 ' HE3' ' CD2' ' A' ' 22' ' ' HIS . 29.1 tpp -63.65 -51.17 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.994 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -29.28 60.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -94.06 -18.42 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.93 61.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.52 121.77 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.996 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.98 -23.32 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.4 pt -48.62 -28.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.391 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.11 122.65 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.57 164.23 15.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.68 161.82 30.62 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.568 2.179 . . . . 0.0 112.371 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.594 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.2 t -60.86 145.53 49.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -89.98 -37.84 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.343 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.49 -179.869 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.726 0.298 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.22 117.54 17.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mp -75.84 109.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.94 134.38 37.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.546 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' LYS . 26.0 t-80 -165.81 109.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.251 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' HIS . 1.5 ptpt 29.28 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.87 12.34 35.07 Favored Glycine 0 C--N 1.328 0.109 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.508 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.59 135.57 53.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.374 0.587 . . . . 0.0 111.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.15 76.54 1.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.6 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.54 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 34.2 m-85 -65.61 160.48 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 4.2 mm -127.87 132.17 24.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.142 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.54 115.53 4.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.487 2.125 . . . . 0.0 112.5 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -155.37 165.24 37.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.843 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -111.32 158.49 18.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -134.51 113.02 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -84.08 -15.25 48.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 5.8 m-85 -107.04 170.97 5.08 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.74 0.305 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.402 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 25.9 Cg_exo -62.9 104.1 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.669 2.246 . . . . 0.0 112.615 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 5.1 m -115.45 129.14 56.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.002 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -92.64 115.49 28.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.459 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 163.59 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.91 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.84 -34.48 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 111.347 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.3 -86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.512 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.8 p -80.22 -169.59 2.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.893 0.378 . . . . 0.0 111.178 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.3 mmt -99.33 -22.61 15.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.91 151.08 8.99 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.996 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.94 160.74 48.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.595 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' ' 36' ' ' THR . 4.2 tt -134.15 104.52 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.406 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 55.4 p-90 174.86 -178.39 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.12 148.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.594 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -96.82 -47.73 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.98 -75.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -114.95 96.19 44.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.53 123.44 11.74 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.475 2.117 . . . . 0.0 112.172 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.59 153.76 76.83 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.48 2.12 . . . . 0.0 112.177 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.06 93.57 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.8 157.01 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.749 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 24.3 mt -120.92 121.46 38.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.977 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.9 tt0 -107.74 133.87 51.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.0 137.08 45.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.675 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' CD ' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.87 31.46 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.4 -75.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.791 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.425 ' HB3' HG21 ' A' ' 81' ' ' VAL . 21.0 p -87.85 -5.41 58.61 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.5 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 7.8 m-70 66.01 90.32 0.09 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.004 0.43 . . . . 0.0 111.029 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 62' ' ' ILE . 3.3 pt -148.92 131.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.535 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' CD ' ' CG2' ' A' ' 36' ' ' THR . 0.0 OUTLIER -98.0 146.86 25.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.357 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.9 m -158.15 123.21 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.828 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -48.14 136.16 12.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.892 0.377 . . . . 0.0 110.659 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -51.41 -30.65 20.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.9 -45.7 64.31 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.855 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.828 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.4 m-70 -53.74 -50.34 66.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.142 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.6 tpp -62.53 -48.34 79.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -30.7 69.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -88.89 -21.5 23.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? 65.33 53.19 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.44 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.13 126.14 30.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.71 -23.08 39.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.1 pt -50.03 -27.28 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.505 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.443 HG23 HD12 ' A' ' 76' ' ' ILE . 53.5 mt -77.23 143.75 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.895 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.55 163.74 44.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.415 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -65.14 166.46 18.82 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.777 2.318 . . . . 0.0 112.537 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.594 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -71.26 146.6 48.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -38.0 7.95 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 60' ' ' CYS . 34.6 m . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.716 0.293 . . . . 0.0 111.412 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.84 0.352 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -135.4 117.2 15.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.85 110.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.8 t -77.78 137.72 38.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.498 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 5.1 t-160 -167.02 105.33 0.57 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.108 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt 30.05 79.5 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.99 6.78 47.09 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.651 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -121.22 132.42 54.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.304 0.552 . . . . 0.0 111.713 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HB2' ' NE ' ' A' ' 59' ' ' ARG . 15.5 mp0 -121.65 69.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 13.2 m-85 -57.36 160.48 3.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.08 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' GLU . 3.8 mm -130.19 133.02 24.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.297 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.49 112.8 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.492 2.128 . . . . 0.0 112.275 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -153.62 165.36 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.0 mt -111.24 158.23 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.413 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 38.7 m-85 -132.4 121.27 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.725 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -90.92 -17.82 25.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.437 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.9 m-85 -105.21 171.52 4.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.711 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 23.5 Cg_exo -64.54 102.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.712 2.275 . . . . 0.0 112.644 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 3.0 m -113.89 123.86 50.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.066 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -90.02 116.71 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 156.46 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.191 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -36.42 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.267 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.08 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.3 p -81.12 -163.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.0 mtm -104.29 -24.73 13.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 156.4 0.67 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.758 0.313 . . . . 0.0 111.07 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.75 154.99 44.16 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.602 2.201 . . . . 0.0 112.851 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' O ' ' HB ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -128.73 98.31 4.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.17 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.43 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 63.3 p-90 172.58 -178.75 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.994 0.426 . . . . 0.0 111.256 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 174.06 132.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.508 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 mtm -83.26 -49.53 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -69.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -117.76 95.01 47.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.44 125.4 14.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.485 2.123 . . . . 0.0 112.199 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.4 156.93 57.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.537 2.158 . . . . 0.0 112.181 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.57 92.42 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.459 2.106 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 65' ' ' HIS . . . -93.61 146.75 23.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.393 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 22.3 mt -106.45 118.81 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.34 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.3 tt0 -101.48 141.04 34.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.402 ' HB2' ' CG1' ' A' ' 62' ' ' ILE . 41.6 t -80.57 133.66 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.638 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.82 28.82 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 1.9 mpt_? -133.86 -78.63 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.1 p -81.47 -8.19 59.69 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.495 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 20.9 m170 68.42 87.92 0.12 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.05 0.452 . . . . 0.0 111.49 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.5 pt -143.21 -177.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.697 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HG2' HG21 ' A' ' 36' ' ' THR . 0.0 OUTLIER -147.71 144.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.221 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.8 p -158.65 119.13 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.803 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -39.53 135.59 1.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.942 0.401 . . . . 0.0 111.393 -179.769 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -30.7 21.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.17 -45.6 61.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.827 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.803 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.3 m-70 -53.38 -45.95 69.44 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.067 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 22' ' ' HIS . 24.8 tpp -65.06 -53.52 44.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.08 -30.12 61.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.048 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -90.5 -21.95 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp 62.24 72.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.77 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -99.46 126.53 45.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.07 -23.57 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.951 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.4 pt -49.78 -27.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.43 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.405 HD13 HG23 ' A' ' 76' ' ' ILE . 57.5 mt -76.96 128.48 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.4 164.31 15.32 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 0.0 111.309 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.45 168.33 14.83 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.9 t -70.44 146.56 50.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -91.9 -45.92 8.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 30.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.665 0.269 . . . . 0.0 111.492 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.732 0.301 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.75 116.68 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.82 109.31 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.968 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.7 t -80.28 131.73 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -164.99 111.76 0.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 30.27 80.4 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.92 12.44 35.92 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.709 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.69 134.07 53.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.378 0.589 . . . . 0.0 111.916 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.4 73.47 1.18 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.33 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.423 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.6 m-85 -63.01 160.21 15.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.4 mm -128.65 130.83 23.49 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -69.21 115.22 3.91 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.757 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 t -154.36 166.69 32.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.967 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.5 mt -111.18 158.89 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.432 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.6 m-85 -134.46 119.69 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.419 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 1.3 m80 -88.35 -17.28 30.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -108.69 167.9 8.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 33.8 Cg_exo -60.05 110.36 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.674 2.25 . . . . 0.0 112.547 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.5 m -118.46 126.81 52.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.992 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -87.82 117.27 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.4 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.16 155.47 40.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.07 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -91.95 -30.3 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.504 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' HB2' ' CD1' ' A' ' 75' ' ' ILE . . . -64.65 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.607 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.4 p -79.46 -166.8 1.03 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.6 ptp -101.83 -26.43 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.68 152.05 10.22 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.029 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.99 61.35 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.683 2.256 . . . . 0.0 112.522 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 6.6 tt -129.19 103.83 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.712 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.43 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 65.5 p-90 172.65 -177.0 0.06 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.114 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -178.07 136.57 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mtm -86.52 -40.39 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -83.25 -76.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -112.3 96.09 33.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 37.5 Cg_endo -66.06 122.71 10.3 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.358 2.039 . . . . 0.0 112.19 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.4 158.67 56.57 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.524 2.149 . . . . 0.0 112.204 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.1 94.62 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 65' ' ' HIS . . . -90.71 162.49 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 31.2 mt -123.9 115.2 20.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 20.8 tt0 -102.34 134.17 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.6 t -75.76 135.57 40.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.526 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -95.18 30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -76.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.908 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.0 p -86.64 -7.13 58.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.464 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.0 m80 68.15 90.75 0.09 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.42 HD13 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -151.05 133.94 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.562 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.432 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.75 147.01 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 0.0 111.523 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -158.29 123.92 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.764 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.844 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.46 136.71 9.51 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.957 0.408 . . . . 0.0 110.885 -179.808 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -30.88 22.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -45.35 63.29 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.734 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.844 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 14.3 m-70 -55.36 -42.64 74.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.946 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.5 tpp -67.01 -49.14 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -27.96 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -87.67 -19.08 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.387 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.99 51.1 2.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.627 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -79.45 124.52 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.966 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.33 -22.7 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 9.0 pt -49.99 -26.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.555 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.57 134.27 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.39 163.76 25.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.342 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.53 165.93 19.0 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.655 2.237 . . . . 0.0 112.463 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.593 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.1 t -68.71 146.51 52.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 -42.88 8.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.685 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 111.338 -179.697 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.79 0.329 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.44 120.22 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.408 HD12 ' HD3' ' A' ' 29' ' ' PRO . 4.9 mp -75.83 108.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.491 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 134.52 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -154.55 -176.81 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.744 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -50.46 91.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.194 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.23 14.54 26.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.799 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.599 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -126.54 136.79 53.04 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 112.104 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -124.99 82.99 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.94 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.46 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.5 m-85 -72.82 160.36 32.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.357 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.9 mm -129.25 132.96 24.64 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.055 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD3' HD12 ' A' ' 20' ' ' ILE . 51.6 Cg_endo -69.75 116.32 4.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.487 2.125 . . . . 0.0 112.583 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -155.96 166.56 33.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.6 mt -111.23 157.46 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 55.3 m-85 -134.34 119.24 18.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -93.07 -12.83 29.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.022 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -106.07 161.46 22.76 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.629 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.456 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 15.4 Cg_endo -57.19 99.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.639 2.226 . . . . 0.0 112.748 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -111.93 129.42 56.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.058 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -96.08 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.312 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 159.23 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -35.49 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.544 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.84 -86.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.506 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -81.17 -168.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.062 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.71 43.4 2.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.178 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 157.5 45.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.8 131.69 20.24 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.609 2.206 . . . . 0.0 112.588 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' ' 36' ' ' THR . 6.9 tt -112.27 105.74 14.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.456 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 54.4 p-90 169.53 -178.32 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 110.997 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.33 130.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.654 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ptp -79.01 -46.32 18.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -74.09 -73.26 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.372 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -120.05 95.2 49.07 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.296 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.06 122.51 10.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.504 2.136 . . . . 0.0 112.081 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.74 156.34 66.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.519 2.146 . . . . 0.0 112.274 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.59 93.19 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.501 2.134 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.74 159.74 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 33.5 mt -119.26 116.48 26.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.007 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -101.49 134.33 44.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.211 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.6 t -75.13 134.83 41.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.478 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -95.21 32.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HB3' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.5 -76.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.907 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.9 p -87.56 -7.97 56.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.495 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 69.68 92.63 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 0.0 111.238 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.418 HD12 ' CE1' ' A' ' 25' ' ' HIS . 2.0 pt -153.88 135.53 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 1.9 mptt -100.51 148.25 24.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.04 0.448 . . . . 0.0 111.552 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 33.5 m -158.15 121.46 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.815 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -44.5 135.55 4.69 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 111.075 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -30.86 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.33 -45.92 62.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.869 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.815 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.8 m-70 -54.32 -49.91 68.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.029 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.4 tpp -63.55 -49.66 72.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -30.82 69.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -88.65 -20.97 24.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 64.51 58.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 0.0 110.734 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.65 125.95 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.14 -22.24 50.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 pt -49.52 -28.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.621 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.4 mt -73.23 137.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.21 164.87 17.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 34.9 Cg_endo -66.53 156.77 63.9 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.573 2.182 . . . . 0.0 112.482 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.599 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.2 t -58.86 142.15 51.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -86.52 -42.19 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.676 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.401 HG23 ' HB3' ' A' ' 59' ' ' ARG . 34.5 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.634 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.727 0.299 . . . . 0.0 110.501 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.51 116.82 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.74 110.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.065 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.53 133.84 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.485 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 40.1 t-80 -165.86 110.93 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.219 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt 30.14 80.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.4 12.25 38.23 Favored Glycine 0 C--O 1.23 -0.103 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.604 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.6 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.5 133.57 54.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.418 0.609 . . . . 0.0 111.937 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -122.48 72.37 1.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.6 m-85 -62.15 160.29 13.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.021 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 56' ' ' GLU . 3.8 mm -128.75 131.93 24.05 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.13 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 55.4 Cg_endo -70.56 117.03 4.9 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.518 2.146 . . . . 0.0 112.625 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t -157.42 166.67 32.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.94 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.5 mt -111.23 159.02 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 58.8 m-85 -135.88 117.97 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.048 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.411 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 4.1 m170 -86.58 -20.6 27.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -100.15 170.38 6.77 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.95 105.91 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.845 2.363 . . . . 0.0 112.446 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -117.38 126.4 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.147 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -88.59 113.86 24.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 164.35 5.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.267 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -98.03 -36.86 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' HB1' ' CD2' ' A' ' 68' ' ' HIS . . . -57.54 -85.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.5 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.1 p -82.72 -171.94 3.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -93.96 -26.9 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 152.61 10.52 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.16 178.87 4.37 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.363 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.7 tt -147.93 102.2 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 177.46 179.28 0.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.11 0.481 . . . . 0.0 111.011 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.31 138.23 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 ptp -93.46 -44.15 8.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -73.01 -65.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -129.04 93.55 36.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 34.0 Cg_endo -64.37 126.65 17.39 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.416 2.077 . . . . 0.0 112.016 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.69 155.58 44.42 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.496 2.13 . . . . 0.0 112.368 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.36 95.64 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.526 2.15 . . . . 0.0 112.128 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 65' ' ' HIS . . . -90.54 159.25 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 31.3 mt -119.29 111.51 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.8 tt0 -99.65 135.95 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.7 t -78.19 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.591 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 58' ' ' ARG . 2.9 ptm180 -93.27 29.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.81 -76.0 0.46 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 18.4 p -88.35 -4.9 58.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.465 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.9 m80 66.85 92.26 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.091 0.472 . . . . 0.0 111.292 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 62' ' ' ILE . 2.7 pt -153.83 132.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.381 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 5.1 mptt -102.73 147.18 27.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.817 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.2 p -158.39 122.05 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.531 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.807 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -43.05 136.53 2.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.9 20.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -46.26 61.67 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.644 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.807 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.4 m-70 -54.35 -40.34 67.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.807 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 40.8 tpp -70.54 -53.2 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.04 -30.78 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -87.76 -22.0 24.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.97 73.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.389 . . . . 0.0 110.589 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.84 128.48 48.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.4 -23.0 35.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.988 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 40' ' ' ALA . 11.6 pt -49.56 -27.31 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.419 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.0 mt -79.62 135.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.935 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.11 164.6 21.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.189 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -64.53 166.85 16.41 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.626 2.217 . . . . 0.0 112.391 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.6 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.7 t -69.35 146.26 52.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -92.7 -46.6 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.228 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.808 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.421 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -129.96 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.128 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.66 106.8 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.606 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.42 132.72 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -150.85 -168.02 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -53.24 90.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.27 14.37 25.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.774 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.591 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -125.11 139.01 54.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.285 0.564 . . . . 0.0 112.27 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 77.1 1.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.996 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.472 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.2 m-85 -68.07 160.49 28.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.316 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.6 mm -130.21 133.7 25.24 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.025 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.6 Cg_endo -69.09 113.79 3.38 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.445 2.096 . . . . 0.0 112.571 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.415 HG23 ' CE2' ' A' ' 32' ' ' TYR . 9.4 t -153.48 166.54 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.7 mt -111.32 157.4 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 m-85 -138.02 108.25 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -18.79 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -99.88 170.54 6.62 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.73 109.31 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.709 2.273 . . . . 0.0 112.551 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.7 m -120.57 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.939 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -88.06 113.36 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 155.97 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.041 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.24 -31.42 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.516 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.33 -88.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.5 p -79.59 -173.16 3.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.3 -25.74 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 149.9 28.09 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.28 163.85 37.17 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.524 2.149 . . . . 0.0 112.425 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 6.2 tt -132.51 103.52 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.41 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 9.0 p-90 175.79 -176.94 0.12 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -176.02 142.21 0.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.572 179.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -40.72 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -86.44 -78.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.323 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -110.39 96.9 28.99 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.12 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HA ' ' CB ' ' A' ' 47' ' ' HIS . 34.7 Cg_endo -64.79 121.97 9.67 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.373 2.049 . . . . 0.0 112.081 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 155.83 68.66 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.153 . . . . 0.0 112.403 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.55 93.24 0.2 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.514 2.143 . . . . 0.0 112.176 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.71 160.42 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.011 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 38.8 mt -121.16 115.49 23.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.94 134.99 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.12 134.58 39.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.29 31.9 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.415 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -136.22 -76.5 0.43 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' N ' HG21 ' A' ' 81' ' ' VAL . 21.2 p -85.47 -14.03 47.33 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.294 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.2 m170 76.09 89.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.413 HD13 ' CE1' ' A' ' 25' ' ' HIS . 1.1 pt -154.19 135.29 5.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.658 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.419 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 5.5 mptt -100.74 150.2 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.023 0.44 . . . . 0.0 111.658 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 m -158.3 122.11 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.561 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.832 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.86 135.5 7.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -30.77 22.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -45.4 57.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.744 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.832 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.3 m-70 -54.73 -52.01 63.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.016 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.21 -48.2 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.54 -31.29 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -87.71 -16.04 35.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.293 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 64.37 59.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.969 0.414 . . . . 0.0 110.61 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -83.92 144.12 29.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.036 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -93.23 36.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.299 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 pt -110.24 -22.42 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.1 mt -76.87 124.63 35.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -98.9 163.62 18.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.112 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 28.5 Cg_endo -63.39 154.24 69.57 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.229 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 9.1 t -54.03 146.31 14.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -87.96 -35.65 17.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.58 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 33.4 m . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.696 0.284 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -105.26 98.28 8.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -133.29 31.13 3.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -140.86 99.78 3.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.37 133.27 87.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.21 -167.61 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.485 2.124 . . . . 0.0 112.303 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -121.63 49.64 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 t80 60.38 70.79 0.94 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.24 176.67 9.82 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.647 2.231 . . . . 0.0 112.407 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.55 115.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -96.2 100.1 6.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.3 -166.96 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.366 2.044 . . . . 0.0 112.371 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.8 115.77 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.93 -19.32 47.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.819 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -54.69 -57.97 9.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.863 0.363 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.41 87.97 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -95.91 94.29 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.019 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -78.75 174.68 11.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.624 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.416 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -135.52 119.76 17.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.055 0.455 . . . . 0.0 111.244 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mp -75.83 105.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.558 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.4 135.7 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -155.07 -175.82 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.655 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.2 ptpp? -50.6 90.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.51 13.34 30.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.783 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -126.05 135.77 52.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.105 0.479 . . . . 0.0 112.084 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.55 78.41 1.59 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 3.3 m-85 -67.56 160.44 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.356 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' GLU . 3.9 mm -130.69 132.88 24.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.973 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.07 114.5 3.61 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.328 2.019 . . . . 0.0 112.222 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -158.07 164.34 36.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 71.4 mt -111.34 157.75 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 10.3 m-85 -137.06 96.27 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -15.25 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -99.7 167.23 11.44 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.622 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.35 99.41 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.677 2.252 . . . . 0.0 112.519 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 29.3 m -113.09 137.04 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.0 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -100.63 134.48 43.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 111.705 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 147.18 39.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.881 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -85.96 -34.74 20.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.416 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 -89.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.5 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.4 p -79.33 -168.01 1.38 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.748 0.309 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -115.77 58.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.14 159.03 72.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.28 136.73 29.66 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.541 2.16 . . . . 0.0 112.613 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' O ' ' HB ' ' A' ' 36' ' ' THR . 0.9 OUTLIER -117.93 103.87 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.597 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.439 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 56.1 p-90 167.95 -178.29 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.5 132.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.751 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -40.97 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -81.61 -74.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -114.8 94.97 39.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 37.5 Cg_endo -66.39 122.55 10.03 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.5 2.133 . . . . 0.0 112.133 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.72 151.08 63.3 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.471 2.114 . . . . 0.0 112.174 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.02 92.45 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.407 2.071 . . . . 0.0 111.79 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.69 143.34 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 37.7 mt -105.74 112.38 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.7 tt0 -97.9 139.76 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.116 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.7 t -80.6 134.79 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.652 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.29 30.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.76 -74.09 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.4 -7.37 58.98 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.508 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.3 m170 68.14 81.32 0.19 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.095 0.474 . . . . 0.0 111.308 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 pt -138.13 -174.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -149.7 147.95 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.045 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -158.02 121.41 3.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.48 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.758 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -42.5 133.59 3.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -30.52 18.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -50.83 -46.76 60.16 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.78 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.758 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 10.3 m-70 -51.33 -51.29 55.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.248 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.2 tpp -62.53 -46.73 87.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.06 -29.71 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -94.25 -19.54 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm 63.88 74.72 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.386 . . . . 0.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -101.45 127.53 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -22.44 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.425 HD12 ' CE1' ' A' ' 68' ' ' HIS . 14.0 pt -48.59 -34.49 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.584 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.409 HG23 HD13 ' A' ' 76' ' ' ILE . 43.8 mt -65.66 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -118.89 164.76 19.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 111.268 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 38.8 Cg_endo -68.97 157.58 61.31 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.655 2.237 . . . . 0.0 112.478 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.5 t -62.23 146.31 51.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.511 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -95.94 -40.49 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.829 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.3 m -62.55 -21.84 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.298 . . . . 0.0 111.498 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -87.26 53.71 2.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -179.3 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.8 t0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.708 0.29 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 60.72 96.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.25 171.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.33 103.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -83.13 128.07 66.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.32 148.42 61.41 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.375 2.05 . . . . 0.0 112.098 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 63.92 130.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.788 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -102.09 82.25 0.4 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.18 -174.32 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.607 2.204 . . . . 0.0 112.251 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -71.14 100.24 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -85.79 114.28 56.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG3' ' HA ' ' A' ' 30' ' ' THR . 11.8 Cg_endo -57.42 171.38 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.515 2.143 . . . . 0.0 112.151 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.0 t 58.3 28.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.168 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.08 -155.02 7.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -34.54 58.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.918 0.39 . . . . 0.0 111.048 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -110.1 127.42 54.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 m -162.42 114.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.1 174.44 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -146.31 118.5 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.146 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.84 105.59 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.559 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -77.97 137.34 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -156.1 -169.45 3.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -53.1 88.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.211 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.45 12.05 37.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.918 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.75 138.33 54.29 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.176 0.513 . . . . 0.0 112.203 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.87 77.77 1.75 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.987 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 25' ' ' HIS . 2.7 m-85 -67.57 160.46 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.26 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 HG21 ' A' ' 28' ' ' ILE . 3.9 mm -128.55 130.92 23.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.102 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.07 112.04 2.84 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.571 2.181 . . . . 0.0 112.186 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.519 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 7.2 t -156.93 170.39 22.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 0.0 111.454 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 74.2 mt -113.45 157.74 21.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.549 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 9.6 m-85 -134.58 107.37 7.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.406 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 3.3 m-70 -79.95 -5.94 56.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.339 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -110.69 169.33 6.44 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.4 106.55 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.784 2.323 . . . . 0.0 112.624 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.2 m -121.68 141.45 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.212 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.68 141.23 36.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.14 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -87.17 148.37 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.389 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.74 -38.45 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.65 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.329 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.79 -164.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.705 0.288 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -119.46 47.42 1.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.75 159.82 44.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.38 141.66 43.28 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 36' ' ' THR . 25.2 tp -121.8 101.02 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 169.61 -177.94 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.94 143.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -41.81 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.21 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.98 -78.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.168 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -112.13 95.56 30.65 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.242 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 38.1 Cg_endo -66.57 125.73 14.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.357 2.038 . . . . 0.0 112.238 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 156.41 56.43 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.497 2.131 . . . . 0.0 112.186 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.37 91.91 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.539 2.159 . . . . 0.0 112.09 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.8 139.15 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 26.0 mt -100.83 110.66 22.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.3 tt0 -97.3 139.94 32.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.402 ' CB ' ' CG1' ' A' ' 62' ' ' ILE . 41.1 t -80.78 134.27 35.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.574 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 30.79 1.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -135.39 -73.52 0.46 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 25.1 p -86.72 -6.05 58.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.669 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 1.7 m-70 67.24 81.05 0.2 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.092 0.472 . . . . 0.0 111.326 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.56 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 3.9 pt -138.68 -179.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.757 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -148.18 145.56 28.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 111.267 179.743 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 65' ' ' HIS . 7.2 p -158.67 113.89 2.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.758 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.21 134.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 0.0 111.992 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -30.65 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -47.03 51.15 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.573 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.758 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.6 m-70 -52.1 -52.96 48.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.038 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.4 tpp -63.42 -50.87 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.24 -28.63 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -94.91 -17.42 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.37 79.21 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.779 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -108.12 121.51 44.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.05 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.55 -22.77 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -47.74 -28.58 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.428 HG23 HD12 ' A' ' 76' ' ' ILE . 44.8 mt -72.8 129.75 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.44 164.89 13.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 30.9 Cg_endo -65.08 157.51 56.89 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.544 2.163 . . . . 0.0 112.457 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.58 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.4 t -58.02 146.38 32.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.664 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -88.12 -41.88 12.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.837 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.5 m -69.73 -8.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -47.15 -29.3 2.2 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.862 0.363 . . . . 0.0 111.228 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.38 -62.85 1.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.776 0.322 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.17 168.84 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.28 99.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? 60.7 111.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.97 141.28 81.49 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.804 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.72 -170.33 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.547 2.165 . . . . 0.0 112.34 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.49 91.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -108.79 92.5 10.56 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.44 -175.46 1.09 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.383 2.055 . . . . 0.0 112.228 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -91.7 149.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -83.38 110.03 21.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.82 175.82 9.14 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.397 2.065 . . . . 0.0 112.343 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.6 m -63.33 105.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.83 -26.47 37.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.652 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.83 -35.06 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.03 102.58 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -146.98 103.83 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.6 174.51 0.76 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.401 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -133.65 117.33 16.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.962 0.411 . . . . 0.0 111.094 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.86 111.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.895 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.13 134.64 35.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.427 ' CD2' ' HE3' ' A' ' 69' ' ' MET . 2.6 t60 -165.96 109.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 29.82 80.5 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.34 10.19 40.68 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.699 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.99 133.53 54.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.415 0.608 . . . . 0.0 112.014 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.29 70.99 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.8 m-85 -61.73 160.28 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.8 mm -128.47 133.45 25.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.56 114.77 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.372 2.048 . . . . 0.0 112.55 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -154.67 165.42 36.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.883 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 54.6 mt -115.05 152.81 31.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.425 ' CE1' ' HG2' ' A' ' 63' ' ' LYS . 25.1 m-85 -131.16 110.59 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -80.82 -12.63 59.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -104.94 170.56 5.85 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.87 108.95 0.71 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.658 2.239 . . . . 0.0 112.572 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -122.95 128.67 50.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -94.63 111.86 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.223 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -56.4 155.09 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.172 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.34 -36.16 14.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.08 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.493 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.9 p -80.07 -165.66 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.717 0.294 . . . . 0.0 111.157 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 mtm -101.76 -26.22 13.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.336 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.13 153.57 4.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.24 169.18 20.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.597 2.198 . . . . 0.0 112.57 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 6.6 tt -144.34 105.27 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 59.6 p-90 172.94 -178.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 111.208 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 51' ' ' PRO . 1.0 OUTLIER 179.65 137.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.468 179.778 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 mtm -86.13 -37.76 18.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -87.78 -76.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -111.64 95.45 27.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 40.9 Cg_endo -67.7 129.64 20.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.424 2.083 . . . . 0.0 112.004 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 151.56 56.82 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.496 2.13 . . . . 0.0 112.314 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.84 92.91 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.59 2.193 . . . . 0.0 112.265 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.87 158.12 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 43.3 mt -117.98 113.64 21.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.5 131.3 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.265 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.72 135.93 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -94.82 29.68 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.55 -74.8 0.47 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.1 p -88.39 -6.5 57.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.0 m170 67.13 87.63 0.12 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.879 0.371 . . . . 0.0 111.364 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -148.94 134.35 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.27 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.05 143.96 34.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.019 0.438 . . . . 0.0 111.771 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.6 m -155.19 129.8 9.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.022 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.775 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.91 133.98 8.25 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.995 0.426 . . . . 0.0 111.392 -179.353 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -30.75 23.41 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -50.42 -46.17 56.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.819 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.775 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.1 m-70 -52.27 -52.55 52.12 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.019 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.427 ' HE3' ' CD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.14 -47.38 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -29.96 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -87.24 -15.92 36.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.65 39.0 6.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.42 144.48 56.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.44 43.16 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.246 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.6 pt -115.71 -27.35 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.383 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 mt -73.49 140.35 17.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -121.3 164.31 24.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.183 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.35 158.16 41.85 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.549 2.166 . . . . 0.0 112.317 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.57 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -59.15 146.39 39.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -43.02 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.769 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.7 m -65.74 -14.94 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -51.18 -27.66 9.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -83.13 -62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.753 0.311 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -106.74 -34.16 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.3 108.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 105.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 147.88 94.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.71 -168.22 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.599 2.199 . . . . 0.0 112.402 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.66 101.32 4.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.786 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.7 t80 60.8 86.25 0.16 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.66 -175.73 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.588 2.192 . . . . 0.0 112.39 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 t -120.73 142.16 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.11 101.19 7.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.79 -167.63 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.44 2.093 . . . . 0.0 112.264 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.17 103.46 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.41 136.39 7.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.533 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.14 -60.49 3.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -77.07 90.94 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -96.6 118.85 33.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -71.63 174.68 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.692 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -134.45 118.23 17.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.77 110.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -75.78 140.07 42.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' CE1' ' HE1' ' A' ' 69' ' ' MET . 1.9 t-80 -159.68 178.22 10.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.45 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.7 ptpp? -47.43 93.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 58.19 14.94 20.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.7 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -125.98 137.89 53.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.13 0.491 . . . . 0.0 112.105 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.04 77.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.732 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.2 m-85 -67.67 160.5 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.341 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.416 HD11 HG21 ' A' ' 28' ' ' ILE . 5.2 mm -129.75 133.76 25.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.096 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.12 116.63 4.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.504 2.136 . . . . 0.0 112.549 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.46 163.86 39.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.884 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 mt -111.18 155.78 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.588 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.426 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.4 m-85 -137.5 96.61 3.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.206 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -68.8 -14.96 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -102.42 160.97 24.72 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.81 109.73 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.684 2.256 . . . . 0.0 112.574 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 2.8 m -121.88 132.93 54.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.957 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -94.39 114.33 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 111.552 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 163.23 3.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.912 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.87 -34.94 10.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.506 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 75' ' ' ILE . . . -60.8 -85.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.548 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.5 p -80.42 -167.6 1.4 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.91 0.386 . . . . 0.0 111.096 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 mmt -100.69 -25.42 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -53.17 154.2 5.83 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.75 171.34 15.74 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.598 2.199 . . . . 0.0 112.544 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD12 ' CG ' ' A' ' 65' ' ' HIS . 6.8 tt -143.07 100.57 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 177.88 -176.34 0.18 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.078 0.466 . . . . 0.0 111.205 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.03 140.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.527 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.2 mtm -88.42 -41.06 13.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.207 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -82.4 -77.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -114.34 96.52 43.12 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.076 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.22 122.97 11.37 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.35 2.033 . . . . 0.0 112.112 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.17 155.71 68.4 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.591 2.194 . . . . 0.0 112.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.05 93.74 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.538 2.159 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.48 157.09 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 39.0 mt -118.19 116.27 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.28 137.04 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.547 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 48.4 t -77.63 135.02 38.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.28 29.25 2.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.65 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -135.98 -73.47 0.45 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.15 -4.87 57.03 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.545 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m80 65.92 90.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 111.284 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.43 HD12 ' CE1' ' A' ' 25' ' ' HIS . 13.6 pt -151.7 138.61 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.329 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -103.57 147.74 26.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.989 0.424 . . . . 0.0 111.509 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 64.1 m -158.1 122.5 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.81 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -46.33 136.16 7.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -30.84 19.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.64 -46.25 63.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.81 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 11.9 m-70 -53.49 -53.32 53.15 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.105 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.424 ' HE1' ' CE1' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.4 -44.59 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -30.59 69.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -92.18 -13.25 30.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.05 37.35 6.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.701 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.53 142.18 28.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.17 37.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 8.4 pt -112.13 -21.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.252 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.2 mt -76.72 148.94 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.33 164.01 32.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.058 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 30.3 Cg_endo -64.82 148.75 90.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.528 2.152 . . . . 0.0 112.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.597 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 6.1 t -54.65 146.43 16.71 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -40.71 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.44 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 59' ' ' ARG . 34.8 m -65.24 -26.65 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.471 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -58.57 -30.29 67.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -87.58 -61.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.899 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.794 0.331 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 60.72 108.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -176.11 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.77 175.23 6.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.416 ' HG3' ' HD2' ' A' ' 6' ' ' PRO . 2.9 tp10 -75.65 136.68 70.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HD2' ' HG3' ' A' ' 5' ' ' GLU . 59.6 Cg_endo -72.79 -177.2 2.71 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.469 2.113 . . . . 0.0 112.373 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.68 82.25 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 57.94 80.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.59 -167.65 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.547 2.165 . . . . 0.0 112.237 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 10' ' ' VAL . 3.0 p 42.78 93.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.553 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -96.12 100.16 6.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.06 173.66 6.91 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.399 2.066 . . . . 0.0 112.184 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -93.75 119.8 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.186 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.98 127.92 4.61 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.551 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -61.23 -38.05 85.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -87.03 89.29 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -97.03 109.93 22.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.03 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.51 174.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.791 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -133.05 117.56 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.912 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.85 110.07 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.048 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.17 134.54 36.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 13.8 t60 -166.45 110.75 0.78 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.26 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt 29.49 79.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.39 11.67 48.17 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.49 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.74 134.16 53.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.397 0.598 . . . . 0.0 112.084 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.2 71.32 1.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.468 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.0 m-85 -61.68 160.37 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.853 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mm -129.17 132.38 24.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.076 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.64 114.67 3.76 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.48 2.12 . . . . 0.0 112.403 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 t -155.5 168.04 28.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 mt -111.27 157.29 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 49.3 m-85 -135.99 111.32 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.028 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -86.47 -12.78 48.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.393 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -105.99 165.44 13.04 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.16 103.1 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.768 2.312 . . . . 0.0 112.867 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 17.0 m -119.81 141.29 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.034 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -101.17 146.32 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 143.76 26.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.229 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.47 -37.05 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.1 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.343 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -81.89 -169.91 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.1 mmt -95.94 -24.42 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 156.13 7.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.36 -167.97 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 36' ' ' THR . 36.6 tp -160.57 104.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.722 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 170.5 176.61 0.06 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.91 127.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -82.32 -48.42 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.05 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.94 -73.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -121.81 93.77 48.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.01 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.48 119.81 6.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.47 2.113 . . . . 0.0 112.111 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.32 154.83 71.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.583 2.188 . . . . 0.0 112.364 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.33 94.85 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.055 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.55 158.11 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 41.0 mt -117.15 109.47 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -97.23 133.25 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.178 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.77 134.99 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.631 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.8 29.3 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.58 -78.65 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 18.8 p -84.79 -7.9 59.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.289 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 36.2 m-70 69.19 94.43 0.07 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.941 0.4 . . . . 0.0 111.295 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 62' ' ' ILE . 1.8 pt -156.85 133.81 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.685 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 6.5 mptt -101.71 146.83 27.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.357 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.0 m -157.77 117.36 3.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.765 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.48 132.53 0.82 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.981 0.42 . . . . 0.0 111.779 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -30.65 23.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -49.11 -45.49 43.52 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.755 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.765 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 11.6 m-70 -53.52 -50.34 65.65 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.021 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.3 tpp -63.92 -49.56 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -29.91 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -90.1 -15.59 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.401 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.69 37.35 5.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.922 0.392 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.37 141.08 43.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -91.71 41.4 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.417 HD12 ' CE1' ' A' ' 68' ' ' HIS . 9.5 pt -115.41 -32.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.096 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 37.3 mt -64.82 138.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.56 164.55 18.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.37 159.02 37.54 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.598 2.198 . . . . 0.0 112.294 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.597 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.2 t -59.32 146.51 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.26 -41.47 14.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.385 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' TYR . 34.4 m -79.7 -49.32 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.647 0.26 . . . . 0.0 111.198 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.405 ' N ' HG23 ' A' ' 81' ' ' VAL . 32.6 t80 54.17 -81.73 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.415 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 81' ' ' VAL . 58.6 m-85 -61.49 -74.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.826 0.346 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -155.86 -46.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -60.4 174.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.29 108.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -83.22 149.53 58.79 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.73 128.97 11.3 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.573 2.182 . . . . 0.0 112.314 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -146.81 80.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -108.72 87.81 4.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.36 171.52 17.51 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.51 2.14 . . . . 0.0 112.344 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.6 p -111.54 111.79 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.89 106.59 14.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.11 -177.31 1.3 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.478 2.119 . . . . 0.0 112.224 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.8 p -76.03 114.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.83 130.29 6.24 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.576 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -68.73 -53.69 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -83.46 103.06 12.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.59 119.46 32.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.83 174.57 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.696 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.68 118.41 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mp -75.78 109.92 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.93 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -78.17 133.74 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.446 ' CD2' ' CG ' ' A' ' 23' ' ' LYS . 69.8 t60 -165.51 109.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' CG ' ' CD2' ' A' ' 22' ' ' HIS . 0.9 OUTLIER 30.05 79.85 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.79 10.89 40.74 Favored Glycine 0 CA--C 1.515 0.094 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.601 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.97 133.36 54.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.322 0.561 . . . . 0.0 111.871 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.67 71.99 1.0 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.282 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 9.6 m-85 -60.27 160.26 8.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.024 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.413 HG21 HD12 ' A' ' 28' ' ' ILE . 3.5 mm -129.87 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 114.1 3.49 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 C-N-CA 122.422 2.081 . . . . 0.0 112.434 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.1 166.18 34.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.1 mt -111.33 158.55 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 67.2 m-85 -135.38 111.99 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.421 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 53.4 m170 -83.56 -13.99 53.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -106.3 166.19 11.65 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 27.7 Cg_exo -62.25 103.25 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.778 2.319 . . . . 0.0 112.713 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 9.2 m -116.35 140.79 48.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.871 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -99.74 143.65 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 111.639 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 138.79 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.36 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.336 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.6 p -80.33 -166.15 1.0 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.854 0.359 . . . . 0.0 111.055 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtt -102.25 -23.93 13.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 150.84 7.02 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.41 165.91 28.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.525 2.15 . . . . 0.0 112.525 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 36' ' ' THR . 35.6 tp -137.68 101.89 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.413 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 50.4 p-90 169.58 -178.28 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 111.059 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.69 151.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.589 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.04 -47.41 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -72.5 -71.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -121.99 94.84 47.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 28.7 Cg_endo -63.18 126.74 18.5 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.422 2.081 . . . . 0.0 112.105 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.58 154.36 49.82 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.471 2.114 . . . . 0.0 112.281 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.46 91.78 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.373 2.049 . . . . 0.0 112.17 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.8 146.8 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 30.0 mt -108.48 115.32 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.0 134.83 43.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.983 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.8 t -74.61 137.0 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.721 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.05 32.64 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.53 -78.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 p -84.68 -10.26 57.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.357 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 71.89 93.26 0.08 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.943 0.401 . . . . 0.0 111.036 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' ' 62' ' ' ILE . 2.1 pt -155.32 132.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 1.5 mptt -100.25 146.74 26.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.926 0.393 . . . . 0.0 111.317 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 55.7 m -158.11 116.33 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.636 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.771 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.17 132.85 0.71 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.942 0.401 . . . . 0.0 111.786 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -30.58 22.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -49.24 -46.64 46.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.742 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.771 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.4 m-70 -52.3 -49.59 63.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.995 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.418 ' HE2' ' CG ' ' A' ' 22' ' ' HIS . 30.7 tpp -63.65 -48.73 76.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.17 -31.02 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -89.34 -16.55 30.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 48.34 3.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.947 0.403 . . . . 0.0 110.802 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.53 142.99 56.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.35 43.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.6 pt -117.22 -37.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.7 mt -63.23 126.51 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.99 164.36 15.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.55 159.38 40.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.209 . . . . 0.0 112.405 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.579 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 6.6 t -61.02 146.46 47.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.66 -47.39 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.456 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 m -63.86 -35.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.747 0.308 . . . . 0.0 111.326 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -62.66 -31.09 71.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -93.25 -71.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m 60.58 29.54 19.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt 58.17 171.08 0.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm 59.59 101.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -81.41 139.93 48.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.72 -177.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.481 2.12 . . . . 0.0 112.262 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.42 38.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.98 84.91 1.42 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.771 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.99 -176.42 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.622 2.214 . . . . 0.0 112.357 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -108.84 156.29 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -96.34 97.68 3.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.1 161.53 26.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.415 2.077 . . . . 0.0 112.361 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 t 55.43 38.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.303 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.67 -125.95 2.54 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.46 -52.04 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.323 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -79.28 -165.26 0.74 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 m 64.87 139.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.76 174.46 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.68 118.27 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.87 110.99 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.26 132.8 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.2 t-80 -165.01 111.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 3.0 ptpt 30.09 79.9 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.92 12.15 34.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.641 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.8 133.69 54.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.256 0.528 . . . . 0.0 111.81 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.03 72.65 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.463 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.5 m-85 -61.52 160.27 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.2 mm -128.55 131.68 23.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.69 113.67 3.26 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.382 2.055 . . . . 0.0 112.195 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -156.89 165.87 34.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 51.9 mt -111.21 152.2 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 2.3 m-85 -128.12 108.79 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.414 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -81.24 -10.02 59.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -108.07 166.74 10.39 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.702 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 26.4 Cg_exo -62.7 102.28 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.574 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -115.09 130.33 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.226 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -93.63 122.89 36.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.113 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 153.04 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.482 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -30.75 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.247 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 75' ' ' ILE . . . -64.94 -91.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.673 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.8 -169.56 1.81 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.979 0.419 . . . . 0.0 111.271 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -97.45 -25.86 15.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 151.02 4.77 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.18 156.63 59.08 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.564 2.176 . . . . 0.0 112.691 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' HB ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -125.91 100.6 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.634 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.415 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 58.1 p-90 169.41 -179.65 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.31 126.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -79.24 -46.53 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.56 -68.59 0.42 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -126.22 93.53 43.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.054 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.438 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.8 Cg_endo -65.17 121.41 8.86 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.441 2.094 . . . . 0.0 112.057 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 157.59 57.69 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.479 2.119 . . . . 0.0 112.186 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.37 93.17 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.545 2.163 . . . . 0.0 112.157 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 65' ' ' HIS . . . -90.94 152.65 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 21.0 mt -114.04 116.88 29.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.336 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HG3' ' HG3' ' A' ' 63' ' ' LYS . 34.7 tt0 -103.67 138.97 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.42 ' CB ' HG13 ' A' ' 62' ' ' ILE . 34.7 t -77.69 135.25 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.427 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.43 32.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.33 -79.22 0.35 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 p -83.38 -8.85 59.34 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.564 0.221 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.58 92.44 0.08 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 pt -153.42 132.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -99.53 148.03 24.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.557 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.4 m -158.36 118.69 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.697 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.846 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -41.89 135.18 2.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.918 0.389 . . . . 0.0 111.122 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -30.67 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.64 -45.77 58.02 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.771 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.846 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.6 m-70 -54.11 -47.22 72.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.072 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.417 ' HE3' ' CG ' ' A' ' 22' ' ' HIS . 25.8 tpp -66.25 -50.12 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -30.66 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.98 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -86.89 -19.29 29.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 49.87 3.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.84 147.33 45.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.39 39.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.224 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 5.4 pt -112.44 -28.06 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.18 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.9 mt -74.06 128.13 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.58 163.35 17.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 32.4 Cg_endo -65.65 164.84 25.04 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.672 2.248 . . . . 0.0 112.48 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -69.49 146.25 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -97.55 -43.12 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.86 -20.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.503 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.64 -37.62 51.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.253 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -85.74 -56.25 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.808 0.337 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t 60.36 110.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.58 114.7 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.39 155.84 39.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.95 148.03 97.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.44 169.59 20.85 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.666 2.244 . . . . 0.0 112.3 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -163.12 90.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.809 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -127.31 72.93 77.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.05 -172.56 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.516 2.144 . . . . 0.0 112.379 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' O ' HG11 ' A' ' 10' ' ' VAL . 3.1 p 42.53 86.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.72 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -79.89 118.61 73.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HG3' ' HA ' ' A' ' 30' ' ' THR . 67.0 Cg_endo -73.08 174.41 12.06 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.541 2.16 . . . . 0.0 112.425 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 t 50.37 27.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.311 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.95 -139.44 6.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.545 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -74.45 -39.03 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.022 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -119.12 132.75 56.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.24 112.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.56 174.46 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.7 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.35 116.47 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.411 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.68 109.44 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.81 132.92 37.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 52.0 t-80 -165.91 110.04 0.82 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.112 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 4.2 ptpt 30.58 80.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.73 12.11 39.72 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.618 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.88 133.06 53.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.4 0.6 . . . . 0.0 111.89 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.67 71.61 1.04 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.252 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 12.1 m-85 -60.72 160.3 9.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.886 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.4 mm -126.45 131.07 23.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.217 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 49.9 Cg_endo -69.84 110.48 2.58 Favored 'Trans proline' 0 CA--C 1.517 -0.336 0 C-N-CA 122.523 2.149 . . . . 0.0 112.133 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.487 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 7.7 t -153.89 171.66 18.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 56.9 mt -114.21 156.76 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CZ ' ' HE2' ' A' ' 63' ' ' LYS . 1.6 m-85 -134.13 107.29 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -80.05 -18.51 49.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -99.49 169.89 7.53 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.752 0.311 . . . . 0.0 110.764 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.56 108.41 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.728 2.286 . . . . 0.0 112.546 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m -124.25 139.87 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.066 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -97.41 143.06 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -91.33 149.5 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -87.31 -40.72 14.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.7 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.41 -166.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.6 mmt -102.6 -23.95 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -53.79 156.76 4.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 175.24 9.82 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.636 2.224 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 51.0 tp -146.87 101.91 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.428 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 41.7 p-90 172.03 -178.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.37 145.54 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -41.96 8.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.086 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -82.13 -77.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -113.03 95.59 35.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.059 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.431 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 37.8 Cg_endo -66.35 123.17 10.81 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.473 2.115 . . . . 0.0 112.144 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 154.69 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.306 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.03 93.29 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.526 2.151 . . . . 0.0 112.149 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.91 146.51 23.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 30.3 mt -107.37 111.13 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -99.87 131.21 45.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.117 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.414 ' CB ' HG13 ' A' ' 62' ' ' ILE . 40.2 t -71.62 137.73 48.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.23 31.7 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.795 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -75.79 0.43 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.5 p -86.94 -10.65 52.74 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.416 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.58 89.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.414 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -151.78 133.04 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.516 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 5.0 mptt -101.96 146.08 28.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.587 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' HIS . 25.3 p -158.54 111.23 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.486 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.734 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -30.09 135.3 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.081 0.467 . . . . 0.0 112.238 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.56 41.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -45.52 46.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.734 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.1 m-70 -53.26 -49.96 65.81 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.018 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 42.1 tpp -62.61 -51.37 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.3 -28.96 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -92.46 -18.16 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.93 46.53 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.92 0.391 . . . . 0.0 110.741 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.11 123.1 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.6 -22.79 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.972 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.9 pt -47.96 -28.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.494 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.27 130.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.78 165.31 13.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.013 0.435 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 32.7 Cg_endo -65.79 164.83 25.41 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.606 2.204 . . . . 0.0 112.52 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.8 t -65.02 146.28 55.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -40.84 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.683 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.0 m -61.73 -24.14 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -56.11 -30.99 62.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.024 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -99.07 -50.94 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.744 0.307 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -87.06 -69.8 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.05 128.05 33.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -111.69 170.93 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.99 138.84 97.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.27 125.58 19.34 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.499 2.133 . . . . 0.0 112.228 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -144.84 88.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 59.31 80.25 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.62 -169.33 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.567 2.178 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 10' ' ' VAL . 3.5 p 42.46 77.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.763 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.34 117.56 68.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.664 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.76 165.27 21.42 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.338 2.025 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 m -69.36 92.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.71 8.37 77.85 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.765 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.5 -32.38 58.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.761 0.315 . . . . 0.0 110.809 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -170.82 56.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.12 129.68 34.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.23 174.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -141.49 117.95 10.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.957 0.408 . . . . 0.0 111.139 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.88 110.83 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.14 138.77 38.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.412 ' CD2' ' HE2' ' A' ' 69' ' ' MET . 4.2 t60 -157.91 -174.18 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -50.89 91.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.15 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.59 13.81 25.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.759 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.82 138.58 54.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.283 0.564 . . . . 0.0 112.251 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -126.33 76.7 1.63 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.797 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.9 m-85 -66.67 160.4 25.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.408 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.403 HD12 HG23 ' A' ' 28' ' ' ILE . 3.9 mm -129.27 132.88 24.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.153 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.25 114.92 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.598 2.198 . . . . 0.0 112.678 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.4 HG22 ' CE2' ' A' ' 32' ' ' TYR . 11.1 t -154.57 163.66 39.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -111.14 156.98 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.778 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 57.0 m-85 -136.14 117.02 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -91.02 -6.85 53.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.347 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 1.4 m-85 -110.9 171.39 4.38 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.709 0.29 . . . . 0.0 110.641 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.436 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 35.7 Cg_exo -61.58 96.84 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.854 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 13.3 m -110.15 128.02 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.924 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -94.02 116.03 28.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.396 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.77 164.75 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.973 179.36 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 -31.86 9.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.64 0.257 . . . . 0.0 111.515 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HB1' ' CD2' ' A' ' 68' ' ' HIS . . . -63.13 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.639 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -81.29 -170.84 2.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.95 0.405 . . . . 0.0 111.171 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 mtt -112.08 43.61 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.32 156.05 55.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.16 141.12 42.81 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.502 2.135 . . . . 0.0 112.595 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.432 HD11 ' CG ' ' A' ' 65' ' ' HIS . 6.5 tt -118.74 108.19 14.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.436 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 38.6 p-90 172.09 175.87 0.09 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.911 0.386 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.98 121.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.65 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.3 ptp -74.75 -44.6 48.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -69.29 -69.72 0.32 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.132 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -127.11 93.71 40.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.82 120.09 7.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.492 2.128 . . . . 0.0 112.088 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.66 154.78 72.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.579 2.186 . . . . 0.0 112.257 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.25 94.12 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.473 2.115 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.73 157.75 17.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 39.5 mt -118.57 115.95 25.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -102.19 133.86 46.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.173 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.1 t -74.6 136.01 42.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.612 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.13 31.12 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.684 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.02 -78.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.426 ' HB3' HG23 ' A' ' 81' ' ' VAL . 20.6 p -83.82 -7.92 59.34 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.515 0.198 . . . . 0.0 111.343 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 13.1 m-70 67.72 91.01 0.09 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.966 0.412 . . . . 0.0 111.2 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.404 HD12 ' CE1' ' A' ' 25' ' ' HIS . 1.1 pt -151.95 134.85 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.433 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 3.2 mptt -102.79 145.57 29.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.67 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.2 m -155.91 125.54 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.136 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.813 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.81 135.17 7.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 111.19 -179.621 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -30.86 22.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -50.82 -45.7 59.6 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.791 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.813 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.7 m-70 -53.86 -48.42 70.02 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.023 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.416 ' HE3' ' CE2' ' A' ' 27' ' ' PHE . 50.4 tpp -68.05 -47.9 67.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.992 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.51 -30.95 68.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.91 -17.61 29.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.6 38.22 4.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.42 141.63 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.9 42.7 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.1 pt -117.3 -19.73 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.452 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.3 mt -77.7 138.63 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.053 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.08 163.56 18.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 30.5 Cg_endo -64.62 154.05 74.21 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.645 2.23 . . . . 0.0 112.162 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -55.24 146.39 19.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.709 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -93.07 -30.46 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.013 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' ' 60' ' ' CYS . 33.7 m -87.08 12.8 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 83' ' ' TYR . 9.6 t80 -92.61 47.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -178.28 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.728 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -77.92 -42.5 32.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.31 110.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -150.08 145.4 26.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.17 150.61 74.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.54 163.26 29.72 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.649 2.233 . . . . 0.0 112.399 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.97 90.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -113.02 75.14 1.93 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.9 -168.12 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.61 2.207 . . . . 0.0 112.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.34 143.36 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.28 108.39 41.39 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.81 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.668 ' HG3' ' HA ' ' A' ' 30' ' ' THR . 57.0 Cg_endo -70.36 -174.6 1.06 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.786 2.324 . . . . 0.0 112.162 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 t 48.22 28.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.407 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.38 -160.53 10.25 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.553 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -76.45 -48.76 18.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.991 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -102.41 126.79 49.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.45 143.68 28.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.762 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.85 174.13 11.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -147.69 115.97 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mp -75.62 108.84 8.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.35 141.41 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.31 -172.41 3.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.666 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.1 ptpp? -53.71 89.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.181 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.19 12.8 39.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.12 138.82 54.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.139 0.495 . . . . 0.0 112.197 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.6 76.72 1.65 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.98 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.8 m-85 -66.87 160.51 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.281 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.9 mm -126.93 131.81 24.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.777 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.04 115.59 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.538 2.159 . . . . 0.0 112.487 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.668 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 9.2 t -156.89 168.36 27.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.6 mt -111.21 158.24 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 51.6 m-85 -135.98 115.01 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -20.05 28.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -102.73 161.05 24.38 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 13.2 Cg_endo -56.51 113.76 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.649 2.233 . . . . 0.0 112.423 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.414 HG23 ' CG ' ' A' ' 63' ' ' LYS . 1.2 m -124.83 126.34 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.156 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -84.25 121.21 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 150.17 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.212 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.37 -27.98 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.46 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 -93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.52 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.0 p -78.5 171.6 14.87 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-O 120.899 0.381 . . . . 0.0 111.106 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mtt -79.78 -23.6 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 147.28 27.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 154.41 62.92 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.552 2.168 . . . . 0.0 112.596 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 5.9 tt -122.68 102.89 8.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.419 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.2 p-90 175.79 -177.28 0.12 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.88 132.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.511 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 mtm -85.2 -43.26 13.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -74.6 -75.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -119.35 95.37 49.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.045 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.3 121.43 9.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.432 2.088 . . . . 0.0 112.022 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.83 158.05 59.01 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.29 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.28 94.0 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.172 . . . . 0.0 112.112 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.68 160.65 15.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 31.7 mt -122.9 116.14 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 14.6 tt0 -102.57 135.01 44.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -75.65 135.0 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.543 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -94.8 30.52 2.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' NH2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -135.47 -75.99 0.45 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.6 p -88.55 -4.87 58.5 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.505 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 5.2 m-70 66.17 91.79 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.383 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -152.0 134.6 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.297 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -101.54 147.26 26.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 0.0 111.741 -179.248 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.3 m -158.31 123.69 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.62 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.865 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.02 137.36 7.6 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.941 -179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -30.92 24.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.43 -45.13 62.5 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.644 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.865 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 15.1 m-70 -56.19 -43.28 78.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.897 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.414 ' CE ' ' CE2' ' A' ' 27' ' ' PHE . 37.5 tpp -70.55 -53.15 17.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -56.02 -30.0 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.038 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -89.74 -20.36 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.78 64.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 0.0 110.673 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -92.38 127.47 37.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -22.27 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 pt -48.97 -27.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.633 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.5 mt -74.89 139.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.46 164.7 20.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 35.0 Cg_endo -66.56 157.22 61.78 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.56 2.174 . . . . 0.0 112.388 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.583 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.6 t -59.17 146.36 39.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -91.54 -46.89 7.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.722 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.0 -31.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 111.482 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.439 ' CE1' ' NH2' ' A' ' 59' ' ' ARG . 2.0 t80 -60.11 -29.34 68.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.013 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -106.1 -42.32 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.763 0.316 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 m 63.1 -79.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? 60.92 34.45 19.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -134.63 143.47 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.03 166.74 30.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.54 -172.77 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.541 2.161 . . . . 0.0 112.272 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -162.43 96.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -113.65 83.64 7.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.85 -174.81 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.564 2.176 . . . . 0.0 112.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 p -116.68 110.93 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.51 115.01 62.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.85 167.94 16.43 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.342 2.028 . . . . 0.0 112.281 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.5 118.87 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.28 -28.21 4.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -66.68 -43.36 84.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.1 80.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -111.0 121.7 46.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.39 174.4 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -139.75 115.94 10.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 111.048 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.97 112.72 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.805 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -81.9 132.56 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.427 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 14.2 t-160 -164.59 109.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt 30.43 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.64 11.48 35.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.701 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.55 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.83 131.99 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.327 0.564 . . . . 0.0 111.769 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.83 69.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.161 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 25' ' ' HIS . 12.3 m-85 -59.12 160.23 6.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.978 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.8 mm -128.8 131.53 23.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.51 115.73 4.2 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.369 2.046 . . . . 0.0 112.483 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 t -156.51 164.68 37.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 61.1 mt -111.25 153.1 26.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.704 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.8 m-85 -128.93 112.18 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.422 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 6.1 m80 -82.02 -15.63 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -106.46 170.82 5.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.778 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 29.6 Cg_exo -61.58 109.79 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.691 2.261 . . . . 0.0 112.526 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 2.7 m -120.26 122.76 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.033 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.29 113.62 22.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 151.42 43.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -29.0 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.61 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB1' ' CD1' ' A' ' 75' ' ' ILE . . . -67.81 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.503 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 p -80.39 -175.09 4.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 mmt -93.28 -23.23 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 147.97 10.55 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.97 149.16 58.72 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.58 2.187 . . . . 0.0 112.359 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 36' ' ' THR . 6.3 tt -124.5 105.38 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.797 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.416 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 53.5 p-90 168.97 -178.3 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.078 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.86 161.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.639 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 ptp -111.39 -51.23 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.76 -56.79 4.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -130.7 93.45 31.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.197 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.2 Cg_endo -67.02 125.27 13.35 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.546 2.164 . . . . 0.0 112.205 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.85 155.9 61.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.582 2.188 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.52 95.22 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.143 . . . . 0.0 112.248 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.33 161.59 14.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 35.2 mt -122.37 118.3 28.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 tt0 -105.23 135.72 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.357 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.555 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 42.4 t -76.01 135.51 39.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.452 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HG3' ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -96.53 29.35 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.555 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -135.58 -73.3 0.46 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.2 p -89.87 -5.4 56.86 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.496 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.81 88.84 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.981 0.42 . . . . 0.0 111.497 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.477 HG13 ' HB2' ' A' ' 57' ' ' CYS . 1.6 pt -149.08 137.99 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -105.22 147.28 28.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.128 0.49 . . . . 0.0 111.63 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.4 m -158.13 124.83 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.448 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.844 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.16 137.63 7.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.802 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -30.88 21.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -45.94 64.57 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.745 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.844 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 14.2 m-70 -55.16 -43.13 73.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.868 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.3 tpp -70.65 -52.88 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.15 -32.99 64.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -85.77 -21.46 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? 64.11 40.53 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.13 145.98 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -87.64 46.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.2 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.414 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 6.3 pt -118.78 -30.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.297 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.9 mt -72.71 141.39 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.74 163.96 26.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.43 156.49 60.05 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.597 2.198 . . . . 0.0 112.421 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.55 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -62.3 146.42 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -32.07 12.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.487 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.29 -11.32 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.838 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.54 3.48 28.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.522 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -95.93 -40.83 9.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.761 0.315 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.747 0.308 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.75 96.48 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -136.37 151.66 49.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.87 165.27 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.47 155.63 74.37 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.795 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.89 118.09 5.36 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.516 2.144 . . . . 0.0 112.228 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.28 108.74 2.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.79 89.54 3.61 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.15 -172.9 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.479 2.119 . . . . 0.0 112.161 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.46 127.72 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -80.13 114.17 44.59 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.98 172.56 9.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.332 2.021 . . . . 0.0 112.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.2 m -92.14 135.76 26.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.86 106.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -66.13 -43.22 87.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.948 0.404 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -126.91 109.75 12.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.764 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.94 141.04 48.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -71.11 174.69 5.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.742 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.89 118.2 21.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.83 111.19 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.991 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -81.44 135.57 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.3 t-80 -166.03 108.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.225 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 29.46 79.76 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 65.79 10.51 50.66 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.587 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.595 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.69 135.04 54.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.375 0.588 . . . . 0.0 112.054 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -124.13 71.06 1.11 Allowed 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 7.3 m-85 -62.59 160.29 14.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -128.78 133.17 24.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.049 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.5 Cg_endo -69.61 113.96 3.52 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.428 2.086 . . . . 0.0 112.382 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.1 t -154.72 165.94 34.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.945 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 70.4 mt -111.29 156.34 21.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.644 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 63.9 m-85 -135.41 106.46 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.191 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 2.2 m80 -81.75 -9.09 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -107.08 168.38 8.11 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.708 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.14 102.72 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.759 2.306 . . . . 0.0 112.733 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.9 m -119.58 142.64 48.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -102.36 147.57 26.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 111.445 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.1 143.4 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.186 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.85 -36.46 25.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.298 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.94 -168.5 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -25.6 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 155.86 7.0 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.79 -167.89 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.497 2.131 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' ' 36' ' ' THR . 31.7 tp -159.26 103.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 170.8 179.33 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 130.36 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.3 mtm -83.79 -42.97 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.21 -74.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -122.39 94.66 47.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.412 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 27.8 Cg_endo -62.55 120.5 8.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.9 154.62 70.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.578 2.185 . . . . 0.0 112.192 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.91 95.33 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.555 2.17 . . . . 0.0 112.167 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.74 158.96 16.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 42.8 mt -117.77 110.18 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -97.99 130.22 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.415 ' CB ' HG13 ' A' ' 62' ' ' ILE . 44.7 t -73.89 136.4 43.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.567 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -95.52 30.42 2.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.43 -75.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.001 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB3' HG23 ' A' ' 81' ' ' VAL . 21.6 p -86.98 -7.92 57.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.413 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 68.52 88.54 0.11 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -150.88 133.57 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 179.504 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 1.2 mptt -100.76 146.14 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.821 0.343 . . . . 0.0 111.259 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -157.51 118.18 3.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.767 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.73 132.93 0.86 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.927 0.394 . . . . 0.0 111.721 -179.712 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -30.66 22.98 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.2 -46.29 45.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.688 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.767 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.4 m-70 -52.87 -47.73 67.62 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.898 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.7 tpp -67.02 -53.74 28.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -25.77 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -97.6 -14.9 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.422 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.07 74.13 0.46 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -102.33 125.17 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -57.56 -22.79 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.024 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.405 HD12 ' CE1' ' A' ' 68' ' ' HIS . 14.8 pt -49.46 -30.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.465 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.3 mt -72.34 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.25 163.81 20.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.261 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.87 162.38 29.03 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.526 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.595 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.4 t -64.08 146.51 54.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -91.02 -39.24 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.554 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 60' ' ' CYS . 31.9 m -74.52 -5.69 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -52.35 -29.56 24.42 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.708 0.29 . . . . 0.0 111.073 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -103.99 -35.47 8.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.896 0.379 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -115.0 137.63 51.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.94 98.79 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -164.08 106.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -81.71 148.97 63.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -78.5 137.61 14.82 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.659 2.24 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -144.43 100.82 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 59.14 89.49 0.11 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.22 179.99 2.58 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.512 2.142 . . . . 0.0 112.284 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.3 p -104.8 135.84 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.167 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -96.01 107.27 33.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.34 -178.96 1.63 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.376 2.051 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 m -76.15 125.24 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.21 123.56 5.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.88 -51.9 35.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.63 91.67 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -99.79 135.44 41.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 174.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -138.01 118.42 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.092 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.81 109.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.588 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -77.94 140.65 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -159.51 -173.78 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -52.45 90.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.41 14.22 33.37 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.732 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.591 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -125.29 138.53 54.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.187 0.517 . . . . 0.0 112.254 -179.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.27 79.2 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.87 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.1 m-85 -70.39 160.24 32.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.396 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.428 HG21 HD12 ' A' ' 28' ' ' ILE . 3.7 mm -128.83 133.03 24.75 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.062 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.45 113.77 3.24 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.55 2.167 . . . . 0.0 112.623 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -153.62 165.8 34.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.8 mt -111.28 157.23 20.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.707 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.0 m-85 -136.94 118.14 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -87.97 -19.68 26.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -98.46 169.43 8.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.21 102.82 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.735 2.29 . . . . 0.0 112.293 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.415 HG22 ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -112.13 123.28 49.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -85.45 114.91 22.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 151.1 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.249 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -30.53 26.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -93.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.564 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.2 p -77.8 -179.15 5.8 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 111.101 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -25.99 21.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 145.87 18.53 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 148.35 61.86 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.579 2.186 . . . . 0.0 112.486 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 5.9 tt -115.74 104.24 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.723 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.438 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 174.64 179.21 0.12 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.909 0.385 . . . . 0.0 111.051 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.408 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER 178.04 127.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.652 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.0 mtm -80.58 -44.76 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.048 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -70.75 -73.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.36 94.65 47.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.18 118.58 5.48 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.423 2.082 . . . . 0.0 112.109 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.408 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 39.2 Cg_endo -66.69 153.9 76.35 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.558 2.172 . . . . 0.0 112.138 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.59 94.71 0.15 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.503 2.136 . . . . 0.0 112.066 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 65' ' ' HIS . . . -90.59 164.13 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 36.3 mt -124.48 114.75 19.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -100.08 134.63 42.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.8 t -76.52 134.98 39.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.563 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -95.76 30.78 2.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -135.68 -77.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.405 ' CB ' HG12 ' A' ' 81' ' ' VAL . 19.7 p -86.28 -9.73 55.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.396 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 71.24 92.31 0.09 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.42 HD13 ' CE1' ' A' ' 25' ' ' HIS . 1.7 pt -154.47 136.12 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.543 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -101.95 147.98 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.112 0.482 . . . . 0.0 111.634 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -158.31 123.05 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.48 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.855 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -46.3 136.76 6.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.968 0.413 . . . . 0.0 111.002 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -51.69 -30.73 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.65 -46.51 58.44 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.644 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.855 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 15.5 m-70 -55.65 -42.77 75.5 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.853 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.9 tpp -70.71 -53.73 14.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.06 -30.57 62.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -90.92 -20.35 22.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.268 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 62.62 72.09 0.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.936 0.398 . . . . 0.0 110.632 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.27 126.07 43.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.49 -22.73 34.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.999 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 pt -49.86 -27.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.537 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.0 mt -75.35 133.4 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.93 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.29 164.12 16.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.985 0.421 . . . . 0.0 111.174 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 35.7 Cg_endo -66.6 156.51 65.27 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.57 2.18 . . . . 0.0 112.383 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.3 t -57.83 146.28 32.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -89.89 -42.3 11.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.869 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG12 ' CB ' ' A' ' 60' ' ' CYS . 34.4 m -67.31 -15.19 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -59.14 -30.83 68.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.99 -46.02 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.852 0.358 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 88.15 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -102.7 136.57 42.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 106.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.55 123.77 85.49 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.23 175.12 11.68 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.412 2.075 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 62.61 120.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.2 t80 59.26 87.86 0.13 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' O ' HG13 ' A' ' 10' ' ' VAL . 60.8 Cg_endo -72.75 171.77 16.65 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.526 2.15 . . . . 0.0 112.338 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 9' ' ' PRO . 11.8 p 29.18 91.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.294 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -90.07 107.22 17.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.36 -173.24 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.413 2.075 . . . . 0.0 112.221 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 m -104.5 134.26 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.94 129.7 4.0 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.66 -49.54 77.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.794 0.33 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.96 130.19 49.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.754 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -127.96 124.68 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.36 174.54 8.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.696 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -131.54 118.58 20.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.933 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.91 109.45 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.045 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.08 134.35 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' CD2' ' HE3' ' A' ' 69' ' ' MET . 6.5 t60 -166.34 110.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.271 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 30.07 80.1 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.22 12.14 43.02 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.672 -0.775 . . . . 0.0 113.51 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.33 133.8 53.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.452 0.626 . . . . 0.0 111.99 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.08 72.64 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.239 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.5 m-85 -63.18 160.19 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.968 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.432 HD11 HG22 ' A' ' 28' ' ' ILE . 3.5 mm -129.1 132.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.238 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.52 112.62 2.89 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.509 2.14 . . . . 0.0 112.41 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.411 HG22 ' CE2' ' A' ' 32' ' ' TYR . 9.8 t -153.39 166.15 33.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.9 mt -111.22 156.36 21.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.6 m-85 -136.68 112.0 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 111.026 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -19.14 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.06 169.27 9.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.807 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.92 99.18 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.787 2.324 . . . . 0.0 112.591 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.0 m -114.14 138.09 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -99.3 139.6 34.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.387 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -86.83 141.17 29.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.363 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.53 -38.59 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.58 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.377 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 p -84.79 -168.03 2.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.0 mmt -98.56 -23.41 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 153.01 11.22 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.21 178.16 5.13 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.665 2.244 . . . . 0.0 112.4 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 42.6 tp -148.44 104.73 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.453 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 51.3 p-90 169.27 -178.16 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.84 134.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.1 mtm -91.6 -31.47 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -85.5 -69.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -125.76 93.84 43.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.3 120.98 8.63 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.516 2.144 . . . . 0.0 111.994 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.22 155.06 61.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.524 2.149 . . . . 0.0 112.28 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.03 94.16 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.473 2.115 . . . . 0.0 112.059 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.63 158.8 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 37.4 mt -119.08 109.79 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -98.19 131.17 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.286 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.41 ' CB ' HG13 ' A' ' 62' ' ' ILE . 43.6 t -74.27 136.0 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.2 30.44 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.19 -74.48 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -87.73 -14.1 40.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 76.07 89.41 0.08 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.372 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.41 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -153.19 134.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 2.2 mptt -102.38 146.41 28.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.946 0.403 . . . . 0.0 111.389 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' HIS . 6.1 p -158.68 113.97 2.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.756 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.723 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.54 134.78 0.09 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 112.085 -179.586 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -30.66 41.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -44.93 43.16 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.546 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.723 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.4 m-70 -53.97 -48.34 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.974 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.419 ' HE3' ' CD2' ' A' ' 22' ' ' HIS . 29.1 tpp -63.65 -51.17 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.994 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -29.28 60.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -94.06 -18.42 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.93 61.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.52 121.77 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.996 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.98 -23.32 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.4 pt -48.62 -28.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.391 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.11 122.65 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.57 164.23 15.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.68 161.82 30.62 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.568 2.179 . . . . 0.0 112.371 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.594 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.2 t -60.86 145.53 49.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -89.98 -37.84 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.343 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.81 -11.93 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.49 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -96.37 37.02 1.29 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.901 0.381 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -147.89 -47.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.03 162.11 36.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 60.13 101.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 86.34 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.36 157.82 72.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.27 171.15 18.23 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.573 2.182 . . . . 0.0 112.333 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -178.08 114.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -126.38 83.18 64.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.1 -179.75 3.76 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.558 2.172 . . . . 0.0 112.236 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.2 t -109.86 115.42 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.22 101.37 8.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.95 179.63 3.14 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.401 2.067 . . . . 0.0 112.219 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -59.28 100.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.02 -21.68 75.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.608 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.97 -39.31 71.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.049 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -154.38 115.51 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.12 112.4 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.22 174.47 10.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.22 117.54 17.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mp -75.84 109.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.94 134.38 37.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.546 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' LYS . 26.0 t-80 -165.81 109.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.251 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' HIS . 1.5 ptpt 29.28 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.87 12.34 35.07 Favored Glycine 0 C--N 1.328 0.109 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.508 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.59 135.57 53.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.374 0.587 . . . . 0.0 111.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.15 76.54 1.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.6 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.54 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 34.2 m-85 -65.61 160.48 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 4.2 mm -127.87 132.17 24.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.142 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.54 115.53 4.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.487 2.125 . . . . 0.0 112.5 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -155.37 165.24 37.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.843 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -111.32 158.49 18.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -134.51 113.02 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -84.08 -15.25 48.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 5.8 m-85 -107.04 170.97 5.08 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.74 0.305 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 25.9 Cg_exo -62.9 104.1 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.669 2.246 . . . . 0.0 112.615 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 5.1 m -115.45 129.14 56.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.002 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -92.64 115.49 28.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.459 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 163.59 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.91 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.84 -34.48 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 111.347 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.3 -86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.512 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.8 p -80.22 -169.59 2.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.893 0.378 . . . . 0.0 111.178 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.3 mmt -99.33 -22.61 15.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.91 151.08 8.99 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.996 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.94 160.74 48.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.595 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' ' 36' ' ' THR . 4.2 tt -134.15 104.52 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.406 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 55.4 p-90 174.86 -178.39 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.12 148.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.594 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -96.82 -47.73 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.98 -75.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -114.95 96.19 44.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.53 123.44 11.74 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.475 2.117 . . . . 0.0 112.172 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.59 153.76 76.83 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.48 2.12 . . . . 0.0 112.177 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.06 93.57 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.8 157.01 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.749 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 24.3 mt -120.92 121.46 38.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.977 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.9 tt0 -107.74 133.87 51.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.0 137.08 45.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.675 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' CD ' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.87 31.46 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.45 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -137.4 -75.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.791 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.425 ' HB3' HG21 ' A' ' 81' ' ' VAL . 21.0 p -87.85 -5.41 58.61 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.5 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 7.8 m-70 66.01 90.32 0.09 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.004 0.43 . . . . 0.0 111.029 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 62' ' ' ILE . 3.3 pt -148.92 131.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.535 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' CD ' ' CG2' ' A' ' 36' ' ' THR . 0.0 OUTLIER -98.0 146.86 25.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.357 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.9 m -158.15 123.21 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.828 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -48.14 136.16 12.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.892 0.377 . . . . 0.0 110.659 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -51.41 -30.65 20.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.9 -45.7 64.31 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.855 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.828 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.4 m-70 -53.74 -50.34 66.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.142 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.6 tpp -62.53 -48.34 79.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -30.7 69.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -88.89 -21.5 23.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? 65.33 53.19 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.44 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.13 126.14 30.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.71 -23.08 39.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.1 pt -50.03 -27.28 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.505 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.443 HG23 HD12 ' A' ' 76' ' ' ILE . 53.5 mt -77.23 143.75 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.895 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.55 163.74 44.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.415 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -65.14 166.46 18.82 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.777 2.318 . . . . 0.0 112.537 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.594 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -71.26 146.6 48.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -38.0 7.95 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 60' ' ' CYS . 34.6 m -61.99 -29.42 46.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.716 0.293 . . . . 0.0 111.412 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CE1' ' CZ ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -69.16 -26.99 65.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.095 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -93.56 -55.58 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.802 0.334 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -79.39 145.31 33.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -138.84 129.46 26.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -171.76 147.16 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.68 126.73 92.98 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 78.5 Cg_endo -78.16 139.6 17.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.408 2.072 . . . . 0.0 112.02 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 1.3 mp0 65.93 133.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.35 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -96.4 88.47 0.51 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.985 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 7' ' ' GLU . 24.5 Cg_endo -61.58 -166.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.425 2.083 . . . . 0.0 112.314 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.23 78.91 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.066 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.51 114.04 21.39 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.03 -168.8 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.409 2.073 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.1 m -82.23 109.67 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.45 -29.91 9.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.55 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -33.21 72.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -165.57 112.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 p -135.89 130.14 33.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -84.61 174.41 10.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -135.4 117.2 15.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.85 110.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.8 t -77.78 137.72 38.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.498 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 5.1 t-160 -167.02 105.33 0.57 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.108 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt 30.05 79.5 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.99 6.78 47.09 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.651 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -121.22 132.42 54.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.304 0.552 . . . . 0.0 111.713 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HB2' ' NE ' ' A' ' 59' ' ' ARG . 15.5 mp0 -121.65 69.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 13.2 m-85 -57.36 160.48 3.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.08 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' GLU . 3.8 mm -130.19 133.02 24.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.297 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.49 112.8 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.492 2.128 . . . . 0.0 112.275 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -153.62 165.36 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.0 mt -111.24 158.23 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.413 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 38.7 m-85 -132.4 121.27 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.725 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -90.92 -17.82 25.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.437 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.9 m-85 -105.21 171.52 4.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.711 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 23.5 Cg_exo -64.54 102.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.712 2.275 . . . . 0.0 112.644 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 3.0 m -113.89 123.86 50.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.066 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -90.02 116.71 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 156.46 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.191 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -36.42 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.267 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.08 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.3 p -81.12 -163.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.0 mtm -104.29 -24.73 13.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 156.4 0.67 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.758 0.313 . . . . 0.0 111.07 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.75 154.99 44.16 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.602 2.201 . . . . 0.0 112.851 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' O ' ' HB ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -128.73 98.31 4.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.17 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.43 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 63.3 p-90 172.58 -178.75 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.994 0.426 . . . . 0.0 111.256 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 174.06 132.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.508 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 mtm -83.26 -49.53 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -69.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -117.76 95.01 47.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.44 125.4 14.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.485 2.123 . . . . 0.0 112.199 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.4 156.93 57.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.537 2.158 . . . . 0.0 112.181 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.57 92.42 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.459 2.106 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 65' ' ' HIS . . . -93.61 146.75 23.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.393 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 22.3 mt -106.45 118.81 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.34 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.3 tt0 -101.48 141.04 34.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.402 ' HB2' ' CG1' ' A' ' 62' ' ' ILE . 41.6 t -80.57 133.66 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.638 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.82 28.82 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 1.9 mpt_? -133.86 -78.63 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.1 p -81.47 -8.19 59.69 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.495 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 20.9 m170 68.42 87.92 0.12 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.05 0.452 . . . . 0.0 111.49 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.5 pt -143.21 -177.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.697 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HG2' HG21 ' A' ' 36' ' ' THR . 0.0 OUTLIER -147.71 144.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.221 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.8 p -158.65 119.13 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.803 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -39.53 135.59 1.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.942 0.401 . . . . 0.0 111.393 -179.769 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -30.7 21.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.17 -45.6 61.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.827 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.803 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.3 m-70 -53.38 -45.95 69.44 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.067 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 22' ' ' HIS . 24.8 tpp -65.06 -53.52 44.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.08 -30.12 61.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.048 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -90.5 -21.95 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp 62.24 72.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.77 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -99.46 126.53 45.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.07 -23.57 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.951 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.4 pt -49.78 -27.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.43 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.405 HD13 HG23 ' A' ' 76' ' ' ILE . 57.5 mt -76.96 128.48 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.4 164.31 15.32 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 0.0 111.309 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.45 168.33 14.83 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.9 t -70.44 146.56 50.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -91.9 -45.92 8.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 30.9 m -62.74 -26.35 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.665 0.269 . . . . 0.0 111.492 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -52.06 -27.77 15.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.78 -58.9 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.82 0.343 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.34 -65.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -72.07 176.6 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.79 178.21 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.69 149.63 68.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.87 122.12 7.9 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.559 2.173 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -166.71 114.18 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.401 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 16.8 p90 -121.41 93.86 48.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.75 -168.75 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.113 . . . . 0.0 112.32 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -73.09 136.06 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.26 111.13 3.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.422 ' CG ' ' HA ' ' A' ' 30' ' ' THR . 87.3 Cg_exo -44.64 174.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.939 2.426 . . . . 0.0 112.826 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 t 64.35 32.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.04 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.71 -163.74 9.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -61.5 -52.66 63.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -80.19 111.15 16.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 m -167.43 146.2 4.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.82 174.53 5.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.75 116.68 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.82 109.31 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.968 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.7 t -80.28 131.73 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -164.99 111.76 0.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 30.27 80.4 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.92 12.44 35.92 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.709 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.69 134.07 53.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.378 0.589 . . . . 0.0 111.916 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.4 73.47 1.18 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.33 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.423 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.6 m-85 -63.01 160.21 15.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.4 mm -128.65 130.83 23.49 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -69.21 115.22 3.91 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.757 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.422 ' HA ' ' CG ' ' A' ' 12' ' ' PRO . 10.3 t -154.36 166.69 32.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.967 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.5 mt -111.18 158.89 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.432 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.6 m-85 -134.46 119.69 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.419 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 1.3 m80 -88.35 -17.28 30.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -108.69 167.9 8.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 33.8 Cg_exo -60.05 110.36 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.674 2.25 . . . . 0.0 112.547 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.5 m -118.46 126.81 52.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.992 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -87.82 117.27 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.4 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.16 155.47 40.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.07 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -91.95 -30.3 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.504 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' HB2' ' CD1' ' A' ' 75' ' ' ILE . . . -64.65 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.607 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.4 p -79.46 -166.8 1.03 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.6 ptp -101.83 -26.43 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.68 152.05 10.22 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.029 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.99 61.35 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.683 2.256 . . . . 0.0 112.522 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 6.6 tt -129.19 103.83 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.712 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.43 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 65.5 p-90 172.65 -177.0 0.06 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.114 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -178.07 136.57 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mtm -86.52 -40.39 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -83.25 -76.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -112.3 96.09 33.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 37.5 Cg_endo -66.06 122.71 10.3 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.358 2.039 . . . . 0.0 112.19 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.4 158.67 56.57 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.524 2.149 . . . . 0.0 112.204 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.1 94.62 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 65' ' ' HIS . . . -90.71 162.49 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 31.2 mt -123.9 115.2 20.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 20.8 tt0 -102.34 134.17 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.6 t -75.76 135.57 40.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.526 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -95.18 30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -76.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.908 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.0 p -86.64 -7.13 58.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.464 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.0 m80 68.15 90.75 0.09 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.42 HD13 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -151.05 133.94 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.562 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.75 147.01 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 0.0 111.523 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -158.29 123.92 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.764 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.844 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.46 136.71 9.51 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.957 0.408 . . . . 0.0 110.885 -179.808 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -30.88 22.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -45.35 63.29 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.734 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.844 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 14.3 m-70 -55.36 -42.64 74.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.946 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.5 tpp -67.01 -49.14 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -27.96 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -87.67 -19.08 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.387 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.99 51.1 2.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.627 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -79.45 124.52 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.966 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.33 -22.7 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 9.0 pt -49.99 -26.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.555 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.57 134.27 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.39 163.76 25.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.342 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.53 165.93 19.0 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.655 2.237 . . . . 0.0 112.463 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.593 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.1 t -68.71 146.51 52.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 -42.88 8.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.685 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.6 m -64.06 -25.92 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 111.338 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -55.81 -30.29 61.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.045 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -75.44 -63.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.814 0.34 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -68.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.25 102.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.82 -178.09 5.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -63.39 129.49 93.61 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.19 165.76 28.96 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.421 2.08 . . . . 0.0 112.403 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -152.05 79.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.2 t80 61.21 76.09 0.42 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.54 178.78 5.26 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.552 2.168 . . . . 0.0 112.312 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.1 112.72 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.043 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -94.48 112.35 57.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.72 -172.4 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.326 2.018 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.5 p -75.86 122.15 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.05 127.32 6.06 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.601 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.21 -41.85 80.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.888 0.375 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -109.61 103.82 12.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.45 154.98 22.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.22 174.65 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.73 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.44 120.22 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.408 HD12 ' HD3' ' A' ' 29' ' ' PRO . 4.9 mp -75.83 108.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.491 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 134.52 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -154.55 -176.81 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.744 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -50.46 91.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.194 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.23 14.54 26.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.799 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.599 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -126.54 136.79 53.04 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 112.104 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -124.99 82.99 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.94 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.46 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.5 m-85 -72.82 160.36 32.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.357 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.9 mm -129.25 132.96 24.64 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.055 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD3' HD12 ' A' ' 20' ' ' ILE . 51.6 Cg_endo -69.75 116.32 4.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.487 2.125 . . . . 0.0 112.583 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -155.96 166.56 33.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.6 mt -111.23 157.46 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 55.3 m-85 -134.34 119.24 18.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -93.07 -12.83 29.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.022 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -106.07 161.46 22.76 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.629 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.456 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 15.4 Cg_endo -57.19 99.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.639 2.226 . . . . 0.0 112.748 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -111.93 129.42 56.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.058 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -96.08 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.312 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 159.23 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -35.49 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.544 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.84 -86.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.506 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -81.17 -168.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.062 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.71 43.4 2.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.178 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 157.5 45.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.8 131.69 20.24 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.609 2.206 . . . . 0.0 112.588 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' ' 36' ' ' THR . 6.9 tt -112.27 105.74 14.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.456 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 54.4 p-90 169.53 -178.32 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 110.997 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.33 130.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.654 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ptp -79.01 -46.32 18.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -74.09 -73.26 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.372 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -120.05 95.2 49.07 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.296 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.06 122.51 10.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.504 2.136 . . . . 0.0 112.081 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.74 156.34 66.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.519 2.146 . . . . 0.0 112.274 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.59 93.19 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.501 2.134 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.74 159.74 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 33.5 mt -119.26 116.48 26.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.007 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -101.49 134.33 44.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.211 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.6 t -75.13 134.83 41.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.478 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -95.21 32.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HB3' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.5 -76.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.907 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.9 p -87.56 -7.97 56.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.495 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 69.68 92.63 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 0.0 111.238 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.418 HD12 ' CE1' ' A' ' 25' ' ' HIS . 2.0 pt -153.88 135.53 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 1.9 mptt -100.51 148.25 24.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.04 0.448 . . . . 0.0 111.552 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 33.5 m -158.15 121.46 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.815 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -44.5 135.55 4.69 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 111.075 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -30.86 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.33 -45.92 62.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.869 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.815 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.8 m-70 -54.32 -49.91 68.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.029 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.4 tpp -63.55 -49.66 72.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -30.82 69.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -88.65 -20.97 24.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 64.51 58.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 0.0 110.734 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.65 125.95 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.14 -22.24 50.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 pt -49.52 -28.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.621 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.4 mt -73.23 137.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.21 164.87 17.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 34.9 Cg_endo -66.53 156.77 63.9 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.573 2.182 . . . . 0.0 112.482 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.599 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.2 t -58.86 142.15 51.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -86.52 -42.19 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.676 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.401 HG23 ' HB3' ' A' ' 59' ' ' ARG . 34.5 m -62.95 -16.66 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.634 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -49.49 -30.15 7.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.875 0.369 . . . . 0.0 111.214 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -87.17 -57.85 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.72 0.295 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -141.75 -46.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 mttm 61.41 108.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 149.76 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -72.8 156.06 90.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.6 118.73 5.81 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.558 2.172 . . . . 0.0 112.074 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.57 122.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.753 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -103.18 92.41 3.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 59.8 Cg_endo -72.03 173.95 12.07 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.545 2.163 . . . . 0.0 112.376 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 23.4 t -128.5 87.13 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -76.47 108.44 6.35 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 10' ' ' VAL . 57.0 Cg_endo -70.27 178.65 4.67 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.48 2.12 . . . . 0.0 112.361 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.9 t 55.35 79.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.33 -28.05 63.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.576 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.12 -60.54 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.5 103.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.72 112.22 24.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -73.37 174.69 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.619 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.51 116.82 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.74 110.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.065 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.53 133.84 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.485 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 40.1 t-80 -165.86 110.93 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.219 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt 30.14 80.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.4 12.25 38.23 Favored Glycine 0 C--O 1.23 -0.103 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.604 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.6 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.5 133.57 54.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.418 0.609 . . . . 0.0 111.937 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -122.48 72.37 1.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.6 m-85 -62.15 160.29 13.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.021 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 56' ' ' GLU . 3.8 mm -128.75 131.93 24.05 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.13 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 55.4 Cg_endo -70.56 117.03 4.9 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.518 2.146 . . . . 0.0 112.625 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t -157.42 166.67 32.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.94 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.5 mt -111.23 159.02 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 58.8 m-85 -135.88 117.97 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.048 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.411 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 4.1 m170 -86.58 -20.6 27.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -100.15 170.38 6.77 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.95 105.91 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.845 2.363 . . . . 0.0 112.446 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -117.38 126.4 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.147 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -88.59 113.86 24.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 164.35 5.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.267 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -98.03 -36.86 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' HB1' ' CD2' ' A' ' 68' ' ' HIS . . . -57.54 -85.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.5 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.1 p -82.72 -171.94 3.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -93.96 -26.9 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 152.61 10.52 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.16 178.87 4.37 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.363 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.7 tt -147.93 102.2 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.824 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 177.46 179.28 0.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.11 0.481 . . . . 0.0 111.011 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.31 138.23 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 ptp -93.46 -44.15 8.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -73.01 -65.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -129.04 93.55 36.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 34.0 Cg_endo -64.37 126.65 17.39 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.416 2.077 . . . . 0.0 112.016 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.69 155.58 44.42 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.496 2.13 . . . . 0.0 112.368 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.36 95.64 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.526 2.15 . . . . 0.0 112.128 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 65' ' ' HIS . . . -90.54 159.25 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 31.3 mt -119.29 111.51 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.8 tt0 -99.65 135.95 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.7 t -78.19 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.591 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 58' ' ' ARG . 2.9 ptm180 -93.27 29.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.81 -76.0 0.46 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 18.4 p -88.35 -4.9 58.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.465 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.9 m80 66.85 92.26 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.091 0.472 . . . . 0.0 111.292 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 62' ' ' ILE . 2.7 pt -153.83 132.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.381 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 5.1 mptt -102.73 147.18 27.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.817 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.2 p -158.39 122.05 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.531 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.807 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -43.05 136.53 2.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.9 20.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -46.26 61.67 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.644 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.807 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.4 m-70 -54.35 -40.34 67.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.807 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 40.8 tpp -70.54 -53.2 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.04 -30.78 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -87.76 -22.0 24.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.97 73.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.389 . . . . 0.0 110.589 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.84 128.48 48.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.4 -23.0 35.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.988 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 40' ' ' ALA . 11.6 pt -49.56 -27.31 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.419 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.0 mt -79.62 135.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.935 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.11 164.6 21.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.189 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -64.53 166.85 16.41 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.626 2.217 . . . . 0.0 112.391 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.6 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.7 t -69.35 146.26 52.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -92.7 -46.6 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.228 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.96 -22.78 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -52.61 -30.23 30.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.114 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.53 -46.14 14.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.737 0.303 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -128.68 98.82 5.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.0 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.98 136.72 54.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 153.11 45.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.29 137.77 86.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.03 -174.38 1.92 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.484 2.123 . . . . 0.0 112.385 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 60.78 83.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.8 t80 59.49 79.12 0.31 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.93 176.28 8.56 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.505 2.136 . . . . 0.0 112.251 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.41 108.68 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -96.09 106.44 28.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.97 -168.15 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.353 2.036 . . . . 0.0 112.318 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.22 114.21 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.202 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.15 131.64 4.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.597 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -39.18 87.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.22 130.23 46.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.06 126.72 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.061 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.421 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -64.92 174.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.743 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -129.96 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.128 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.66 106.8 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.606 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.42 132.72 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -150.85 -168.02 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -53.24 90.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.27 14.37 25.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.774 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.591 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -125.11 139.01 54.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.285 0.564 . . . . 0.0 112.27 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 77.1 1.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.996 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.472 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.2 m-85 -68.07 160.49 28.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.316 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.6 mm -130.21 133.7 25.24 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.025 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.6 Cg_endo -69.09 113.79 3.38 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.445 2.096 . . . . 0.0 112.571 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.415 HG23 ' CE2' ' A' ' 32' ' ' TYR . 9.4 t -153.48 166.54 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.7 mt -111.32 157.4 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 m-85 -138.02 108.25 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -18.79 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -99.88 170.54 6.62 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.73 109.31 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.709 2.273 . . . . 0.0 112.551 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.7 m -120.57 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.939 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -88.06 113.36 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 155.97 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.041 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.24 -31.42 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.516 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.33 -88.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.5 p -79.59 -173.16 3.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.3 -25.74 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 149.9 28.09 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.28 163.85 37.17 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.524 2.149 . . . . 0.0 112.425 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 6.2 tt -132.51 103.52 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.41 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 9.0 p-90 175.79 -176.94 0.12 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -176.02 142.21 0.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.572 179.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -40.72 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -86.44 -78.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.323 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -110.39 96.9 28.99 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.12 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HA ' ' CB ' ' A' ' 47' ' ' HIS . 34.7 Cg_endo -64.79 121.97 9.67 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.373 2.049 . . . . 0.0 112.081 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 155.83 68.66 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.153 . . . . 0.0 112.403 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.55 93.24 0.2 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.514 2.143 . . . . 0.0 112.176 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.71 160.42 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.011 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 38.8 mt -121.16 115.49 23.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.94 134.99 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.12 134.58 39.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.29 31.9 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.415 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -136.22 -76.5 0.43 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.412 ' N ' HG21 ' A' ' 81' ' ' VAL . 21.2 p -85.47 -14.03 47.33 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.294 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.2 m170 76.09 89.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.413 HD13 ' CE1' ' A' ' 25' ' ' HIS . 1.1 pt -154.19 135.29 5.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.658 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 5.5 mptt -100.74 150.2 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.023 0.44 . . . . 0.0 111.658 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 m -158.3 122.11 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.561 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.832 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.86 135.5 7.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -30.77 22.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -45.4 57.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.744 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.832 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.3 m-70 -54.73 -52.01 63.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.016 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.21 -48.2 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.54 -31.29 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -87.71 -16.04 35.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.293 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 64.37 59.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.969 0.414 . . . . 0.0 110.61 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -83.92 144.12 29.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.036 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -93.23 36.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.299 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 pt -110.24 -22.42 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.1 mt -76.87 124.63 35.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -98.9 163.62 18.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.112 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 28.5 Cg_endo -63.39 154.24 69.57 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.229 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 9.1 t -54.03 146.31 14.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -87.96 -35.65 17.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.58 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 33.4 m -85.56 9.19 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -50.74 -30.51 14.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.732 0.301 . . . . 0.0 111.172 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.23 -42.0 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 2.3 m-80 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.617 0.246 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.52 119.76 17.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.055 0.455 . . . . 0.0 111.244 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.545 HD13 HD22 ' A' ' 55' ' ' LEU . 3.9 mp -75.83 105.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.558 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.4 135.7 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -155.07 -175.82 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.655 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.2 ptpp? -50.6 90.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.51 13.34 30.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.783 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -126.05 135.77 52.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.105 0.479 . . . . 0.0 112.084 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.55 78.41 1.59 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.481 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 3.3 m-85 -67.56 160.44 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.356 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.627 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -130.69 132.88 24.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.973 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 47.8 Cg_endo -69.07 114.5 3.61 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.328 2.019 . . . . 0.0 112.222 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -158.07 164.34 36.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.89 HD13 ' HG2' ' A' ' 51' ' ' PRO . 71.4 mt -111.34 157.75 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 10.3 m-85 -137.06 96.27 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -15.25 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -99.7 167.23 11.44 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.622 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.35 99.41 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.677 2.252 . . . . 0.0 112.519 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.724 HG23 ' HD3' ' A' ' 63' ' ' LYS . 29.3 m -113.09 137.04 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.0 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -100.63 134.48 43.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 111.705 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -75.99 147.18 39.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.881 179.259 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HG3' HG21 ' A' ' 62' ' ' ILE . 3.7 mm-40 -85.96 -34.74 20.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.416 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.706 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -62.0 -89.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.5 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.4 p -79.33 -168.01 1.38 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.748 0.309 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -115.77 58.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.14 159.03 72.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.28 136.73 29.66 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.541 2.16 . . . . 0.0 112.613 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.835 HD21 ' HB1' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -117.93 103.87 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.597 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.431 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 56.1 p-90 167.95 -178.29 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.5 132.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.751 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -40.97 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -81.61 -74.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -114.8 94.97 39.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.89 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -66.39 122.55 10.03 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.5 2.133 . . . . 0.0 112.133 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.72 151.08 63.3 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.471 2.114 . . . . 0.0 112.174 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.02 92.45 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.407 2.071 . . . . 0.0 111.79 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' HD21 ' A' ' 45' ' ' LEU . . . -90.69 143.34 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.667 HD21 ' HD2' ' A' ' 66' ' ' LYS . 37.7 mt -105.74 112.38 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.7 tt0 -97.9 139.76 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.116 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.7 t -80.6 134.79 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.652 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.627 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.29 30.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.76 -74.09 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.526 ' SG ' HG23 ' A' ' 62' ' ' ILE . 28.1 p -85.4 -7.37 58.98 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.508 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.3 m170 68.14 81.32 0.19 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.095 0.474 . . . . 0.0 111.308 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 pt -138.13 -174.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.724 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.2 OUTLIER -149.7 147.95 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.045 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -158.02 121.41 3.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.48 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.665 ' CD2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -42.5 133.59 3.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.667 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.28 -30.52 18.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.001 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -50.83 -46.76 60.16 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.78 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.586 ' HB3' HD11 ' A' ' 76' ' ' ILE . 10.3 m-70 -51.33 -51.29 55.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.248 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.2 tpp -62.53 -46.73 87.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.06 -29.71 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -94.25 -19.54 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm 63.88 74.72 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.386 . . . . 0.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -101.45 127.53 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -22.44 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.706 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.0 pt -48.59 -34.49 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.584 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.586 HD11 ' HB3' ' A' ' 68' ' ' HIS . 43.8 mt -65.66 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -118.89 164.76 19.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 111.268 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.71 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 38.8 Cg_endo -68.97 157.58 61.31 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.655 2.237 . . . . 0.0 112.478 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.5 t -62.23 146.31 51.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.511 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -95.94 -40.49 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.829 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.541 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.3 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.298 . . . . 0.0 111.498 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.688 0.28 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -146.31 118.5 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.146 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.449 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.84 105.59 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.559 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -77.97 137.34 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -156.1 -169.45 3.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -53.1 88.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.211 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.45 12.05 37.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.918 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.75 138.33 54.29 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.176 0.513 . . . . 0.0 112.203 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.87 77.77 1.75 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.987 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 2.7 m-85 -67.57 160.46 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.26 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.493 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -128.55 130.92 23.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.102 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.07 112.04 2.84 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.571 2.181 . . . . 0.0 112.186 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -156.93 170.39 22.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 0.0 111.454 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.829 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.2 mt -113.45 157.74 21.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.549 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.448 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 9.6 m-85 -134.58 107.37 7.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 3.3 m-70 -79.95 -5.94 56.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.339 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -110.69 169.33 6.44 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.4 106.55 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.784 2.323 . . . . 0.0 112.624 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.77 HG23 ' HD3' ' A' ' 63' ' ' LYS . 1.2 m -121.68 141.45 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.212 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.68 141.23 36.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.14 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -87.17 148.37 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.389 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.74 -38.45 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.65 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.329 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.79 -164.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.705 0.288 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -119.46 47.42 1.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.75 159.82 44.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.38 141.66 43.28 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.514 HD23 ' HB2' ' A' ' 63' ' ' LYS . 25.2 tp -121.8 101.02 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 169.61 -177.94 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.94 143.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -41.81 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.21 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.98 -78.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.168 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -112.13 95.56 30.65 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.242 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.829 ' HG2' HD13 ' A' ' 31' ' ' LEU . 38.1 Cg_endo -66.57 125.73 14.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.357 2.038 . . . . 0.0 112.238 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 156.41 56.43 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.497 2.131 . . . . 0.0 112.186 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.37 91.91 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.539 2.159 . . . . 0.0 112.09 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -90.8 139.15 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 26.0 mt -100.83 110.66 22.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.3 tt0 -97.3 139.94 32.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.402 ' CB ' ' CG1' ' A' ' 62' ' ' ILE . 41.1 t -80.78 134.27 35.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.574 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.493 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.1 30.79 1.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 3.7 mtt-85 -135.39 -73.52 0.46 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.501 ' SG ' HG23 ' A' ' 62' ' ' ILE . 25.1 p -86.72 -6.05 58.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.669 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 1.7 m-70 67.24 81.05 0.2 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.092 0.472 . . . . 0.0 111.326 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 3.9 pt -138.68 -179.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.757 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.77 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -148.18 145.56 28.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 111.267 179.743 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 65' ' ' HIS . 7.2 p -158.67 113.89 2.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.506 ' CE1' ' NE2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.21 134.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 0.0 111.992 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.73 -30.65 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.661 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -47.03 51.15 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.573 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.6 m-70 -52.1 -52.96 48.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.038 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.4 tpp -63.42 -50.87 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.24 -28.63 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -94.91 -17.42 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.37 79.21 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.779 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -108.12 121.51 44.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.05 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.55 -22.77 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.557 HG13 ' HB1' ' A' ' 40' ' ' ALA . 19.5 pt -47.74 -28.58 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 68' ' ' HIS . 44.8 mt -72.8 129.75 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -108.44 164.89 13.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.9 Cg_endo -65.08 157.51 56.89 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.544 2.163 . . . . 0.0 112.457 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.4 t -58.02 146.38 32.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.664 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -88.12 -41.88 12.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.837 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.498 HG22 ' SG ' ' A' ' 79' ' ' CYS . 31.5 m . . . . . 0 C--N 1.331 -0.227 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.79 0.329 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.65 117.33 16.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.962 0.411 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.589 HD13 HD22 ' A' ' 55' ' ' LEU . 3.8 mp -75.86 111.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.895 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.13 134.64 35.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.455 ' CD2' ' HE1' ' A' ' 69' ' ' MET . 2.6 t60 -165.96 109.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 29.82 80.5 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.34 10.19 40.68 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.699 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.99 133.53 54.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.415 0.608 . . . . 0.0 112.014 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.29 70.99 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.8 m-85 -61.73 160.28 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.8 mm -128.47 133.45 25.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.56 114.77 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.372 2.048 . . . . 0.0 112.55 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -154.67 165.42 36.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.883 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 ' HG2' ' A' ' 51' ' ' PRO . 54.6 mt -115.05 152.81 31.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CE1' ' HG2' ' A' ' 63' ' ' LYS . 25.1 m-85 -131.16 110.59 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -80.82 -12.63 59.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 4.0 m-85 -104.94 170.56 5.85 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.402 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 34.6 Cg_exo -61.87 108.95 0.71 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.658 2.239 . . . . 0.0 112.572 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.3 m -122.95 128.67 50.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -94.63 111.86 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.223 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -56.4 155.09 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.172 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.34 -36.16 14.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.608 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -58.08 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.493 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.9 p -80.07 -165.66 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.717 0.294 . . . . 0.0 111.157 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 mtm -101.76 -26.22 13.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.336 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.13 153.57 4.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.24 169.18 20.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.597 2.198 . . . . 0.0 112.57 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.75 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.6 tt -144.34 105.27 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 172.94 -178.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 111.208 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 179.65 137.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.468 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 mtm -86.13 -37.76 18.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -87.78 -76.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -111.64 95.45 27.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 31' ' ' LEU . 40.9 Cg_endo -67.7 129.64 20.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.424 2.083 . . . . 0.0 112.004 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 151.56 56.82 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.496 2.13 . . . . 0.0 112.314 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.84 92.91 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.59 2.193 . . . . 0.0 112.265 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.75 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.87 158.12 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.747 HD21 ' HD2' ' A' ' 66' ' ' LYS . 43.3 mt -117.98 113.64 21.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.0 tt0 -100.5 131.3 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.265 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.417 ' CB ' HG13 ' A' ' 62' ' ' ILE . 43.5 t -73.72 135.93 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -94.82 29.68 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -134.55 -74.8 0.47 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.443 ' HB3' HG13 ' A' ' 81' ' ' VAL . 22.1 p -88.39 -6.5 57.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 3.0 m170 67.13 87.63 0.12 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.879 0.371 . . . . 0.0 111.364 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.494 HD11 ' HE1' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -148.94 134.35 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.27 179.196 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.05 143.96 34.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.019 0.438 . . . . 0.0 111.771 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.6 m -155.19 129.8 9.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.022 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.497 ' N ' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.91 133.98 8.25 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.995 0.426 . . . . 0.0 111.392 -179.353 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.747 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.71 -30.75 23.41 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -50.42 -46.17 56.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.819 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.646 ' HB3' HD11 ' A' ' 76' ' ' ILE . 13.1 m-70 -52.27 -52.55 52.12 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.019 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.455 ' HE1' ' CD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.14 -47.38 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -29.96 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -87.24 -15.92 36.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.65 39.0 6.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.42 144.48 56.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.44 43.16 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.246 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.608 HG13 ' HB1' ' A' ' 40' ' ' ALA . 7.6 pt -115.71 -27.35 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.383 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 ' HB3' ' A' ' 68' ' ' HIS . 19.9 mt -73.49 140.35 17.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -121.3 164.31 24.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.183 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.691 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 25.0 Cg_endo -62.35 158.16 41.85 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.549 2.166 . . . . 0.0 112.317 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -59.15 146.39 39.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -43.02 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.769 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.505 HG22 ' SG ' ' A' ' 79' ' ' CYS . 33.7 m . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.423 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 4.0 m-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.719 0.295 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.45 118.23 17.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 20' ' ' ILE . 4.1 mp -75.77 110.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -75.78 140.07 42.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -159.68 178.22 10.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.45 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.7 ptpp? -47.43 93.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 58.19 14.94 20.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.7 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.485 ' NE2' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -125.98 137.89 53.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.13 0.491 . . . . 0.0 112.105 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.04 77.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.732 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.2 m-85 -67.67 160.5 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.341 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.715 HD11 ' HD3' ' A' ' 58' ' ' ARG . 5.2 mm -129.75 133.76 25.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.096 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 55.6 Cg_endo -71.12 116.63 4.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.504 2.136 . . . . 0.0 112.549 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.46 163.86 39.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.884 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.668 HD13 ' HG2' ' A' ' 51' ' ' PRO . 62.0 mt -111.18 155.78 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.588 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.4 m-85 -137.5 96.61 3.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.206 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -68.8 -14.96 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 2.6 p90 -102.42 160.97 24.72 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 34' ' ' PHE . 17.8 Cg_endo -57.81 109.73 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.684 2.256 . . . . 0.0 112.574 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.796 HG23 ' HD3' ' A' ' 63' ' ' LYS . 2.8 m -121.88 132.93 54.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.957 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -94.39 114.33 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 111.552 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 163.23 3.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.912 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.87 -34.94 10.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.506 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.786 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -60.8 -85.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.548 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.5 p -80.42 -167.6 1.4 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.91 0.386 . . . . 0.0 111.096 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 mmt -100.69 -25.42 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -53.17 154.2 5.83 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.75 171.34 15.74 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.598 2.199 . . . . 0.0 112.544 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.8 tt -143.07 100.57 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 177.88 -176.34 0.18 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.078 0.466 . . . . 0.0 111.205 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.03 140.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.527 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.2 mtm -88.42 -41.06 13.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.207 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -82.4 -77.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 28.0 mmtp -114.34 96.52 43.12 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.076 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.668 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.2 Cg_endo -63.22 122.97 11.37 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.35 2.033 . . . . 0.0 112.112 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.17 155.71 68.4 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.591 2.194 . . . . 0.0 112.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.05 93.74 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.538 2.159 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.772 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.48 157.09 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.538 HD21 ' HD2' ' A' ' 66' ' ' LYS . 39.0 mt -118.19 116.27 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.28 137.04 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 48.4 t -77.63 135.02 38.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.715 ' HD3' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -96.28 29.25 2.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.65 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.577 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -135.98 -73.47 0.45 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.15 -4.87 57.03 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.545 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m80 65.92 90.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 111.284 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.485 HD11 ' NE2' ' A' ' 25' ' ' HIS . 13.6 pt -151.7 138.61 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.329 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -103.57 147.74 26.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.989 0.424 . . . . 0.0 111.509 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 64.1 m -158.1 122.5 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.478 ' N ' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.33 136.16 7.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.34 -30.84 19.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.038 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.64 -46.25 63.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.561 ' HB3' HD11 ' A' ' 76' ' ' ILE . 11.9 m-70 -53.49 -53.32 53.15 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.105 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.451 ' HA ' ' HE3' ' A' ' 69' ' ' MET . 0.0 OUTLIER -65.4 -44.59 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -30.59 69.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -92.18 -13.25 30.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.05 37.35 6.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.701 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.53 142.18 28.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.17 37.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.786 HG13 ' HB1' ' A' ' 40' ' ' ALA . 8.4 pt -112.13 -21.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.252 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.561 HD11 ' HB3' ' A' ' 68' ' ' HIS . 32.2 mt -76.72 148.94 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -124.33 164.01 32.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.058 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.3 Cg_endo -64.82 148.75 90.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.528 2.152 . . . . 0.0 112.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.619 ' SG ' HG22 ' A' ' 81' ' ' VAL . 6.1 t -54.65 146.43 16.71 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -40.71 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.44 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.619 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.8 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.471 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.407 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.725 0.298 . . . . 0.0 110.791 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -133.05 117.56 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.912 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.517 HD13 HD22 ' A' ' 55' ' ' LEU . 4.1 mp -75.85 110.07 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.048 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.17 134.54 36.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 13.8 t60 -166.45 110.75 0.78 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.26 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt 29.49 79.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.39 11.67 48.17 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.49 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.74 134.16 53.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.397 0.598 . . . . 0.0 112.084 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.2 71.32 1.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.0 m-85 -61.68 160.37 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.853 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.431 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.17 132.38 24.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.076 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 49.7 Cg_endo -69.64 114.67 3.76 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.48 2.12 . . . . 0.0 112.403 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 t -155.5 168.04 28.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.729 HD13 ' HG2' ' A' ' 51' ' ' PRO . 54.2 mt -111.27 157.29 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 49.3 m-85 -135.99 111.32 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.028 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -86.47 -12.78 48.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.393 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -105.99 165.44 13.04 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.16 103.1 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.768 2.312 . . . . 0.0 112.867 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 17.0 m -119.81 141.29 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.034 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -101.17 146.32 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -95.78 143.76 26.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.229 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.47 -37.05 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.66 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.1 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.343 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -81.89 -169.91 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.1 mmt -95.94 -24.42 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 156.13 7.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.36 -167.97 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD23 ' HB2' ' A' ' 63' ' ' LYS . 36.6 tp -160.57 104.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.722 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 170.5 176.61 0.06 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.91 127.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -82.32 -48.42 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.05 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.94 -73.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -121.81 93.77 48.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.01 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.729 ' HG2' HD13 ' A' ' 31' ' ' LEU . 36.8 Cg_endo -65.48 119.81 6.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.47 2.113 . . . . 0.0 112.111 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.32 154.83 71.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.583 2.188 . . . . 0.0 112.364 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.33 94.85 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.055 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.55 158.11 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 20' ' ' ILE . 41.0 mt -117.15 109.47 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -97.23 133.25 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.178 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.1 t -76.77 134.99 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.631 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.431 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.8 29.3 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -134.58 -78.65 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.941 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.459 ' HB3' HG22 ' A' ' 81' ' ' VAL . 18.8 p -84.79 -7.9 59.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.289 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 36.2 m-70 69.19 94.43 0.07 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.941 0.4 . . . . 0.0 111.295 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 25' ' ' HIS . 1.8 pt -156.85 133.81 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.685 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.485 ' HB2' HD23 ' A' ' 45' ' ' LEU . 6.5 mptt -101.71 146.83 27.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.357 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.0 m -157.77 117.36 3.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.498 ' CE1' ' NE2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.48 132.53 0.82 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.981 0.42 . . . . 0.0 111.779 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -30.65 23.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -49.11 -45.49 43.52 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.755 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.717 ' HB3' HD11 ' A' ' 76' ' ' ILE . 11.6 m-70 -53.52 -50.34 65.65 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.021 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.3 tpp -63.92 -49.56 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -29.91 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -90.1 -15.59 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.401 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.69 37.35 5.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.922 0.392 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.37 141.08 43.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -91.71 41.4 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.66 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.5 pt -115.41 -32.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.096 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.717 HD11 ' HB3' ' A' ' 68' ' ' HIS . 37.3 mt -64.82 138.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.698 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -117.56 164.55 18.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.698 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 24.2 Cg_endo -62.37 159.02 37.54 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.598 2.198 . . . . 0.0 112.294 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.2 t -59.32 146.51 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.26 -41.47 14.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.385 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 60' ' ' CYS . 34.4 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.647 0.26 . . . . 0.0 111.198 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.84 0.352 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.68 118.41 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.513 HD13 HD22 ' A' ' 55' ' ' LEU . 3.9 mp -75.78 109.92 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.93 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -78.17 133.74 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 54.7 t-80 -165.51 109.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 30.05 79.85 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.79 10.89 40.74 Favored Glycine 0 CA--C 1.515 0.094 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.601 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -122.97 133.36 54.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.322 0.561 . . . . 0.0 111.871 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.67 71.99 1.0 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.282 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 9.6 m-85 -60.27 160.26 8.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.024 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.644 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.5 mm -129.87 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 114.1 3.49 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 C-N-CA 122.422 2.081 . . . . 0.0 112.434 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.1 166.18 34.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.823 HD13 ' HG2' ' A' ' 51' ' ' PRO . 70.1 mt -111.33 158.55 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 67.2 m-85 -135.38 111.99 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.418 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 53.4 m170 -83.56 -13.99 53.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -106.3 166.19 11.65 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 27.7 Cg_exo -62.25 103.25 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.778 2.319 . . . . 0.0 112.713 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 9.2 m -116.35 140.79 48.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.871 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -99.74 143.65 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 111.639 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 138.79 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -59.36 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.336 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.6 p -80.33 -166.15 1.0 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.854 0.359 . . . . 0.0 111.055 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtt -102.25 -23.93 13.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 150.84 7.02 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.41 165.91 28.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.525 2.15 . . . . 0.0 112.525 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 63' ' ' LYS . 35.6 tp -137.68 101.89 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 50.4 p-90 169.58 -178.28 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 111.059 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.69 151.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.589 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.04 -47.41 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -72.5 -71.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 25.6 mmtt -121.99 94.84 47.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.823 ' HG2' HD13 ' A' ' 31' ' ' LEU . 28.7 Cg_endo -63.18 126.74 18.5 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.422 2.081 . . . . 0.0 112.105 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.58 154.36 49.82 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.471 2.114 . . . . 0.0 112.281 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.46 91.78 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.373 2.049 . . . . 0.0 112.17 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -90.8 146.8 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.644 HD21 ' HD2' ' A' ' 66' ' ' LYS . 30.0 mt -108.48 115.32 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.0 134.83 43.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.983 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.402 ' HB2' HG13 ' A' ' 62' ' ' ILE . 36.8 t -74.61 137.0 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.721 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.644 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.05 32.64 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -138.53 -78.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 p -84.68 -10.26 57.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.357 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 71.89 93.26 0.08 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.943 0.401 . . . . 0.0 111.036 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.1 pt -155.32 132.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.5 ' HB2' HD23 ' A' ' 45' ' ' LEU . 1.5 mptt -100.25 146.74 26.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.926 0.393 . . . . 0.0 111.317 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 55.7 m -158.11 116.33 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.636 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.493 ' CE1' ' NE2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.17 132.85 0.71 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.942 0.401 . . . . 0.0 111.786 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.644 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.7 -30.58 22.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.555 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -49.24 -46.64 46.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.742 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.828 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -52.3 -49.59 63.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.995 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.508 ' HE2' ' HB2' ' A' ' 69' ' ' MET . 30.7 tpp -63.65 -48.73 76.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.17 -31.02 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -89.34 -16.55 30.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 48.34 3.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.947 0.403 . . . . 0.0 110.802 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.53 142.99 56.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.35 43.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' HB1' ' A' ' 40' ' ' ALA . 8.6 pt -117.22 -37.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.828 HD11 ' HB3' ' A' ' 68' ' ' HIS . 28.7 mt -63.23 126.51 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.694 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -105.99 164.36 15.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.694 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 28.1 Cg_endo -63.55 159.38 40.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.209 . . . . 0.0 112.405 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 6.6 t -61.02 146.46 47.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.66 -47.39 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.456 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 35.8 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.747 0.308 . . . . 0.0 111.326 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.775 0.321 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.68 118.27 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.87 110.99 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.26 132.8 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.2 t-80 -165.01 111.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt 30.09 79.9 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.92 12.15 34.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.641 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.8 133.69 54.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.256 0.528 . . . . 0.0 111.81 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -122.03 72.65 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.463 179.812 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.5 m-85 -61.52 160.27 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.2 mm -128.55 131.68 23.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.69 113.67 3.26 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.382 2.055 . . . . 0.0 112.195 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -156.89 165.87 34.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 51.9 mt -111.21 152.2 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 2.3 m-85 -128.12 108.79 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -10.02 59.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -108.07 166.74 10.39 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.702 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.448 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 26.4 Cg_exo -62.7 102.28 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.574 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -115.09 130.33 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.226 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -93.63 122.89 36.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.113 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 153.04 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.482 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -30.75 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.247 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.725 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -64.94 -91.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.673 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.8 -169.56 1.81 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.979 0.419 . . . . 0.0 111.271 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -97.45 -25.86 15.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 151.02 4.77 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 57.0 Cg_endo -71.18 156.63 59.08 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.564 2.176 . . . . 0.0 112.691 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 54' ' ' ALA . 1.0 OUTLIER -125.91 100.6 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.634 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.448 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 58.1 p-90 169.41 -179.65 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.31 126.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -79.24 -46.53 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.56 -68.59 0.42 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -126.22 93.53 43.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.054 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.464 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.8 Cg_endo -65.17 121.41 8.86 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.441 2.094 . . . . 0.0 112.057 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 157.59 57.69 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.479 2.119 . . . . 0.0 112.186 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HA ' HD23 ' A' ' 31' ' ' LEU . 33.4 Cg_endo -64.37 93.17 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.545 2.163 . . . . 0.0 112.157 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.695 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.94 152.65 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 21.0 mt -114.04 116.88 29.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.336 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 34.7 tt0 -103.67 138.97 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.441 ' CB ' HG13 ' A' ' 62' ' ' ILE . 34.7 t -77.69 135.25 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.427 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.43 32.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.33 -79.22 0.35 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 p -83.38 -8.85 59.34 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.564 0.221 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.58 92.44 0.08 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 pt -153.42 132.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' HG2' HG21 ' A' ' 36' ' ' THR . 0.1 OUTLIER -99.53 148.03 24.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.557 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.4 m -158.36 118.69 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.697 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.478 ' CD2' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -41.89 135.18 2.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.918 0.389 . . . . 0.0 111.122 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.6 -30.67 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.001 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.64 -45.77 58.02 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.771 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.875 ' HB3' HD11 ' A' ' 76' ' ' ILE . 13.6 m-70 -54.11 -47.22 72.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.072 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 25.8 tpp -66.25 -50.12 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -30.66 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.98 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -86.89 -19.29 29.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 49.87 3.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.84 147.33 45.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.39 39.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.224 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.725 HG13 ' HB1' ' A' ' 40' ' ' ALA . 5.4 pt -112.44 -28.06 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.18 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.875 HD11 ' HB3' ' A' ' 68' ' ' HIS . 27.9 mt -74.06 128.13 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.679 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -105.58 163.35 17.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.679 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 32.4 Cg_endo -65.65 164.84 25.04 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.672 2.248 . . . . 0.0 112.48 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -69.49 146.25 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -97.55 -43.12 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.536 HG22 ' SG ' ' A' ' 79' ' ' CYS . 28.6 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.503 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.778 0.323 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.35 116.47 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.411 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.5 HD13 HD22 ' A' ' 55' ' ' LEU . 4.2 mp -75.68 109.44 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.81 132.92 37.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 52.0 t-80 -165.91 110.04 0.82 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.112 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt 30.58 80.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.73 12.11 39.72 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.618 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.88 133.06 53.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.4 0.6 . . . . 0.0 111.89 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.67 71.61 1.04 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.252 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 12.1 m-85 -60.72 160.3 9.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.886 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.496 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.4 mm -126.45 131.07 23.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.217 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.84 110.48 2.58 Favored 'Trans proline' 0 CA--C 1.517 -0.336 0 C-N-CA 122.523 2.149 . . . . 0.0 112.133 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 t -153.89 171.66 18.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.782 HD13 ' HG2' ' A' ' 51' ' ' PRO . 56.9 mt -114.21 156.76 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HE2' ' A' ' 63' ' ' LYS . 1.6 m-85 -134.13 107.29 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -80.05 -18.51 49.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -99.49 169.89 7.53 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.752 0.311 . . . . 0.0 110.764 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.56 108.41 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.728 2.286 . . . . 0.0 112.546 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 6.0 m -124.25 139.87 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.066 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -97.41 143.06 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -91.33 149.5 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -87.31 -40.72 14.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -54.7 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.41 -166.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.6 mmt -102.6 -23.95 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -53.79 156.76 4.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 175.24 9.82 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.636 2.224 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 63' ' ' LYS . 51.0 tp -146.87 101.91 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.423 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 41.7 p-90 172.03 -178.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.37 145.54 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -41.96 8.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.086 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -82.13 -77.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -113.03 95.59 35.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.059 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.782 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.8 Cg_endo -66.35 123.17 10.81 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.473 2.115 . . . . 0.0 112.144 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 154.69 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.306 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.03 93.29 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.526 2.151 . . . . 0.0 112.149 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.91 146.51 23.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 30.3 mt -107.37 111.13 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -99.87 131.21 45.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.117 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.434 ' CB ' HG13 ' A' ' 62' ' ' ILE . 40.2 t -71.62 137.73 48.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.496 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.23 31.7 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.795 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -75.79 0.43 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.431 ' HB3' HG13 ' A' ' 81' ' ' VAL . 20.5 p -86.94 -10.65 52.74 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.416 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.58 89.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -151.78 133.04 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.516 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' HB2' HD23 ' A' ' 45' ' ' LEU . 5.0 mptt -101.96 146.08 28.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.587 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' HIS . 25.3 p -158.54 111.23 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.486 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.52 ' CE1' ' NE2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -30.09 135.3 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.081 0.467 . . . . 0.0 112.238 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.56 41.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -45.52 46.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.795 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.1 m-70 -53.26 -49.96 65.81 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.018 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 42.1 tpp -62.61 -51.37 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.3 -28.96 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -92.46 -18.16 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.93 46.53 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.92 0.391 . . . . 0.0 110.741 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.11 123.1 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.6 -22.79 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.972 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.687 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.9 pt -47.96 -28.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.494 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.795 HD11 ' HB3' ' A' ' 68' ' ' HIS . 76.0 mt -75.27 130.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.731 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -111.78 165.31 13.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.013 0.435 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.731 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 32.7 Cg_endo -65.79 164.83 25.41 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.606 2.204 . . . . 0.0 112.52 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.596 ' SG ' HG22 ' A' ' 81' ' ' VAL . 5.8 t -65.02 146.28 55.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -40.84 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.683 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.596 HG22 ' SG ' ' A' ' 79' ' ' CYS . 35.0 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.756 0.312 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -141.49 117.95 10.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.957 0.408 . . . . 0.0 111.139 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.649 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.3 mp -75.88 110.83 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.14 138.77 38.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -157.91 -174.18 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -50.89 91.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.15 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.59 13.81 25.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.759 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.82 138.58 54.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.283 0.564 . . . . 0.0 112.251 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -126.33 76.7 1.63 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.797 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.536 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.9 m-85 -66.67 160.4 25.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.408 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.676 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.27 132.88 24.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.153 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.25 114.92 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.598 2.198 . . . . 0.0 112.678 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -154.57 163.66 39.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.449 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.5 mt -111.14 156.98 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.778 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 57.0 m-85 -136.14 117.02 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -91.02 -6.85 53.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.347 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 1.4 m-85 -110.9 171.39 4.38 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.709 0.29 . . . . 0.0 110.641 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 35.7 Cg_exo -61.58 96.84 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.854 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.689 HG23 ' HD3' ' A' ' 63' ' ' LYS . 13.3 m -110.15 128.02 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.924 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -94.02 116.03 28.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.396 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.77 164.75 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.973 179.36 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 -31.86 9.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.64 0.257 . . . . 0.0 111.515 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.804 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -63.13 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.639 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -81.29 -170.84 2.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.95 0.405 . . . . 0.0 111.171 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 mtt -112.08 43.61 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' CG ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -120.32 156.05 55.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 179.677 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 55.9 Cg_endo -70.16 141.12 42.81 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.502 2.135 . . . . 0.0 112.595 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.5 tt -118.74 108.19 14.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.46 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 38.6 p-90 172.09 175.87 0.09 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.911 0.386 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.4 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 178.98 121.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.65 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 49' ' ' PHE . 25.3 ptp -74.75 -44.6 48.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 48' ' ' MET . 98.0 m-85 -69.29 -69.72 0.32 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.132 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 27.6 mmtt -127.11 93.71 40.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.449 ' HG2' HD13 ' A' ' 31' ' ' LEU . 27.8 Cg_endo -62.82 120.09 7.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.492 2.128 . . . . 0.0 112.088 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 41.9 Cg_endo -67.66 154.78 72.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.579 2.186 . . . . 0.0 112.257 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.25 94.12 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.473 2.115 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.716 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.73 157.75 17.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD21 ' HD2' ' A' ' 66' ' ' LYS . 39.5 mt -118.57 115.95 25.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.1 tt0 -102.19 133.86 46.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.173 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.422 ' CB ' HG13 ' A' ' 62' ' ' ILE . 40.1 t -74.6 136.01 42.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.612 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.676 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -95.13 31.12 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.684 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.426 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.02 -78.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.6 p -83.82 -7.92 59.34 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.515 0.198 . . . . 0.0 111.343 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 13.1 m-70 67.72 91.01 0.09 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.966 0.412 . . . . 0.0 111.2 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.422 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -151.95 134.85 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.433 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.689 ' HD3' HG23 ' A' ' 36' ' ' THR . 3.2 mptt -102.79 145.57 29.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.67 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.2 m -155.91 125.54 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.136 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.477 ' N ' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.81 135.17 7.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 111.19 -179.621 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.574 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.57 -30.86 22.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -50.82 -45.7 59.6 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.791 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.628 ' CD2' ' HB3' ' A' ' 40' ' ' ALA . 12.7 m-70 -53.86 -48.42 70.02 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.023 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.649 ' HG2' HG21 ' A' ' 20' ' ' ILE . 50.4 tpp -68.05 -47.9 67.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.992 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.51 -30.95 68.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.91 -17.61 29.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.6 38.22 4.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.42 141.63 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.9 42.7 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.804 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.1 pt -117.3 -19.73 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.452 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 68' ' ' HIS . 25.3 mt -77.7 138.63 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.053 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -114.08 163.56 18.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.5 Cg_endo -64.62 154.05 74.21 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.645 2.23 . . . . 0.0 112.162 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -55.24 146.39 19.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.709 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -93.07 -30.46 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.013 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 33.7 m . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -147.69 115.97 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.556 HG21 ' HE3' ' A' ' 69' ' ' MET . 3.6 mp -75.62 108.84 8.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.35 141.41 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.31 -172.41 3.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.666 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.1 ptpp? -53.71 89.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.181 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.19 12.8 39.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.594 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -124.12 138.82 54.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.139 0.495 . . . . 0.0 112.197 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.6 76.72 1.65 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.98 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.8 m-85 -66.87 160.51 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.281 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.609 HD11 ' HD3' ' A' ' 58' ' ' ARG . 3.9 mm -126.93 131.81 24.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.777 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.04 115.59 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.538 2.159 . . . . 0.0 112.487 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -156.89 168.36 27.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.6 mt -111.21 158.24 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.845 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 51.6 m-85 -135.98 115.01 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -20.05 28.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -102.73 161.05 24.38 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 13.2 Cg_endo -56.51 113.76 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.649 2.233 . . . . 0.0 112.423 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.686 HG23 ' CD ' ' A' ' 63' ' ' LYS . 1.2 m -124.83 126.34 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.156 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -84.25 121.21 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 150.17 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.212 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.37 -27.98 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.46 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 68' ' ' HIS . . . -70.13 -93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.52 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.0 p -78.5 171.6 14.87 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-O 120.899 0.381 . . . . 0.0 111.106 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mtt -79.78 -23.6 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 147.28 27.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 154.41 62.92 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.552 2.168 . . . . 0.0 112.596 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.656 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.9 tt -122.68 102.89 8.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 1.2 p-90 175.79 -177.28 0.12 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.88 132.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.511 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 mtm -85.2 -43.26 13.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -74.6 -75.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 2.6 mmtt -119.35 95.37 49.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.045 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HG2' HD13 ' A' ' 31' ' ' LEU . 28.3 Cg_endo -63.3 121.43 9.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.432 2.088 . . . . 0.0 112.022 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.83 158.05 59.01 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.29 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.28 94.0 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.172 . . . . 0.0 112.112 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.656 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.68 160.65 15.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 31.7 mt -122.9 116.14 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 14.6 tt0 -102.57 135.01 44.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.418 ' HB2' HG13 ' A' ' 62' ' ' ILE . 43.1 t -75.65 135.0 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.543 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 28' ' ' ILE . 2.2 ptt85 -94.8 30.52 2.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.47 -75.99 0.45 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.6 p -88.55 -4.87 58.5 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.505 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 5.2 m-70 66.17 91.79 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.383 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -152.0 134.6 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.297 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.686 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -101.54 147.26 26.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 0.0 111.741 -179.248 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.3 m -158.31 123.69 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.62 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.495 ' CD2' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.02 137.36 7.6 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.941 -179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HE3' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.7 -30.92 24.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.43 -45.13 62.5 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.644 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.575 ' HB3' HD11 ' A' ' 76' ' ' ILE . 15.1 m-70 -56.19 -43.28 78.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.897 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.556 ' HE3' HG21 ' A' ' 20' ' ' ILE . 37.5 tpp -70.55 -53.15 17.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -56.02 -30.0 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.038 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -89.74 -20.36 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.78 64.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 0.0 110.673 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -92.38 127.47 37.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -22.27 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.519 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 9.6 pt -48.97 -27.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.633 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 68' ' ' HIS . 39.5 mt -74.89 139.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -119.46 164.7 20.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 35.0 Cg_endo -66.56 157.22 61.78 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.56 2.174 . . . . 0.0 112.388 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.6 t -59.17 146.36 39.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -91.54 -46.89 7.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.722 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 32.7 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 111.482 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.696 0.284 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.75 115.94 10.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.44 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.3 mp -75.97 112.72 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -81.9 132.56 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.427 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 14.2 t-160 -164.59 109.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HG2' ' CD2' ' A' ' 22' ' ' HIS . 2.5 ptpt 30.43 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.64 11.48 35.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.701 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.83 131.99 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.327 0.564 . . . . 0.0 111.769 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.83 69.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.161 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 12.3 m-85 -59.12 160.23 6.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.978 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.8 mm -128.8 131.53 23.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.51 115.73 4.2 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.369 2.046 . . . . 0.0 112.483 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 t -156.51 164.68 37.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 61.1 mt -111.25 153.1 26.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.704 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.8 m-85 -128.93 112.18 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.435 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 6.1 m80 -82.02 -15.63 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.408 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.6 m-85 -106.46 170.82 5.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.778 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 29.6 Cg_exo -61.58 109.79 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.691 2.261 . . . . 0.0 112.526 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.783 HG23 ' CD ' ' A' ' 63' ' ' LYS . 2.7 m -120.26 122.76 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.033 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.29 113.62 22.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 151.42 43.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -29.0 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.61 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' A' ' 75' ' ' ILE . . . -67.81 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.503 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 p -80.39 -175.09 4.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 mmt -93.28 -23.23 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 147.97 10.55 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.97 149.16 58.72 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.58 2.187 . . . . 0.0 112.359 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.3 tt -124.5 105.38 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.797 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.442 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 53.5 p-90 168.97 -178.3 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.078 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.86 161.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.639 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 ptp -111.39 -51.23 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.76 -56.79 4.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -130.7 93.45 31.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.197 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.2 Cg_endo -67.02 125.27 13.35 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.546 2.164 . . . . 0.0 112.205 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.85 155.9 61.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.582 2.188 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' HD23 ' A' ' 31' ' ' LEU . 38.0 Cg_endo -66.52 95.22 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.143 . . . . 0.0 112.248 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -92.33 161.59 14.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 35.2 mt -122.37 118.3 28.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 tt0 -105.23 135.72 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.357 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.587 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 42.4 t -76.01 135.51 39.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.452 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' HG3' ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -96.53 29.35 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.587 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -135.58 -73.3 0.46 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' HG23 ' A' ' 62' ' ' ILE . 17.2 p -89.87 -5.4 56.86 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.496 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.81 88.84 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.981 0.42 . . . . 0.0 111.497 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.522 HG13 ' HB2' ' A' ' 57' ' ' CYS . 1.6 pt -149.08 137.99 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.783 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -105.22 147.28 28.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.128 0.49 . . . . 0.0 111.63 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.4 m -158.13 124.83 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.448 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.435 ' ND1' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.16 137.63 7.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.802 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.462 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -51.49 -30.88 21.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.009 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -45.94 64.57 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.745 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.824 ' HB3' HD11 ' A' ' 76' ' ' ILE . 14.2 m-70 -55.16 -43.13 73.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.868 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.44 ' HG2' HG21 ' A' ' 20' ' ' ILE . 17.3 tpp -70.65 -52.88 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.15 -32.99 64.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -85.77 -21.46 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? 64.11 40.53 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.13 145.98 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -87.64 46.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.2 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.578 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 6.3 pt -118.78 -30.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.297 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.824 HD11 ' HB3' ' A' ' 68' ' ' HIS . 17.9 mt -72.71 141.39 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -120.74 163.96 26.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.4 Cg_endo -64.43 156.49 60.05 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.597 2.198 . . . . 0.0 112.421 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.727 ' SG ' HG22 ' A' ' 81' ' ' VAL . 4.6 t -62.3 146.42 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -32.07 12.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.487 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.727 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.838 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.718 0.294 . . . . 0.0 110.742 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.89 118.2 21.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.566 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.83 111.19 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.991 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -81.44 135.57 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.3 t-80 -166.03 108.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.225 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 29.46 79.76 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 65.79 10.51 50.66 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.587 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.69 135.04 54.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.375 0.588 . . . . 0.0 112.054 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -124.13 71.06 1.11 Allowed 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 7.3 m-85 -62.59 160.29 14.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -128.78 133.17 24.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.049 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.5 Cg_endo -69.61 113.96 3.52 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.428 2.086 . . . . 0.0 112.382 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.407 HG23 ' CE2' ' A' ' 32' ' ' TYR . 10.1 t -154.72 165.94 34.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.945 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD13 ' HG2' ' A' ' 51' ' ' PRO . 70.4 mt -111.29 156.34 21.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.644 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 63.9 m-85 -135.41 106.46 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.191 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.424 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 2.2 m80 -81.75 -9.09 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 3.6 m-85 -107.08 168.38 8.11 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.708 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.14 102.72 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.759 2.306 . . . . 0.0 112.733 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.9 m -119.58 142.64 48.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -102.36 147.57 26.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 111.445 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -97.1 143.4 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.186 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.85 -36.46 25.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.38 -87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.298 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.94 -168.5 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -25.6 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 155.86 7.0 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.79 -167.89 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.497 2.131 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.498 HD23 ' HB2' ' A' ' 63' ' ' LYS . 31.7 tp -159.26 103.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 34' ' ' PHE . 56.0 p-90 170.8 179.33 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 130.36 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.3 mtm -83.79 -42.97 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.21 -74.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 16.6 mmtt -122.39 94.66 47.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HG2' HD13 ' A' ' 31' ' ' LEU . 27.8 Cg_endo -62.55 120.5 8.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.9 154.62 70.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.578 2.185 . . . . 0.0 112.192 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.91 95.33 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.555 2.17 . . . . 0.0 112.167 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.74 158.96 16.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.566 HD22 HD13 ' A' ' 20' ' ' ILE . 42.8 mt -117.77 110.18 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -97.99 130.22 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.434 ' CB ' HG13 ' A' ' 62' ' ' ILE . 44.7 t -73.89 136.4 43.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.567 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -95.52 30.42 2.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.43 -75.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.001 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 p -86.98 -7.92 57.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.413 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 68.52 88.54 0.11 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -150.88 133.57 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 179.504 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HB2' HD23 ' A' ' 45' ' ' LEU . 1.2 mptt -100.76 146.14 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.821 0.343 . . . . 0.0 111.259 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -157.51 118.18 3.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.493 ' CE1' ' NE2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.73 132.93 0.86 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.927 0.394 . . . . 0.0 111.721 -179.712 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -51.7 -30.66 22.98 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.488 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.2 -46.29 45.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.688 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.778 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -52.87 -47.73 67.62 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.898 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.7 tpp -67.02 -53.74 28.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -25.77 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -97.6 -14.9 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.422 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.07 74.13 0.46 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -102.33 125.17 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -57.56 -22.79 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.024 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.539 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.8 pt -49.46 -30.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.465 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.778 HD11 ' HB3' ' A' ' 68' ' ' HIS . 62.3 mt -72.34 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -116.25 163.81 20.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.261 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.691 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.1 Cg_endo -63.87 162.38 29.03 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.526 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.4 t -64.08 146.51 54.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -91.02 -39.24 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.554 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 ' SG ' ' A' ' 79' ' ' CYS . 31.9 m . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.412 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -138.01 118.42 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.092 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.81 109.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.588 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -77.94 140.65 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -159.51 -173.78 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -52.45 90.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.41 14.22 33.37 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.732 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -125.29 138.53 54.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.187 0.517 . . . . 0.0 112.254 -179.611 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.27 79.2 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.87 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.516 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.1 m-85 -70.39 160.24 32.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.396 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.7 mm -128.83 133.03 24.75 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.062 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 43.7 Cg_endo -68.45 113.77 3.24 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.55 2.167 . . . . 0.0 112.623 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -153.62 165.8 34.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 51' ' ' PRO . 83.8 mt -111.28 157.23 20.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.707 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.0 m-85 -136.94 118.14 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -87.97 -19.68 26.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -98.46 169.43 8.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.21 102.82 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.735 2.29 . . . . 0.0 112.293 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.667 HG23 ' CD ' ' A' ' 63' ' ' LYS . 1.3 m -112.13 123.28 49.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -85.45 114.91 22.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 151.1 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.249 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -30.53 26.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -66.33 -93.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.564 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.2 p -77.8 -179.15 5.8 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 111.101 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -25.99 21.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 145.87 18.53 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 148.35 61.86 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.579 2.186 . . . . 0.0 112.486 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.9 tt -115.74 104.24 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.723 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.437 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 174.64 179.21 0.12 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.909 0.385 . . . . 0.0 111.051 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.421 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER 178.04 127.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.652 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.0 mtm -80.58 -44.76 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.048 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -70.75 -73.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.36 94.65 47.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.0 Cg_endo -63.18 118.58 5.48 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.423 2.082 . . . . 0.0 112.109 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 51' ' ' PRO . 39.2 Cg_endo -66.69 153.9 76.35 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.558 2.172 . . . . 0.0 112.138 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.59 94.71 0.15 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.503 2.136 . . . . 0.0 112.066 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.59 164.13 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.531 HD21 ' HD2' ' A' ' 66' ' ' LYS . 36.3 mt -124.48 114.75 19.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -100.08 134.63 42.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.8 t -76.52 134.98 39.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.563 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -95.76 30.78 2.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -135.68 -77.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.7 p -86.28 -9.73 55.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.396 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 71.24 92.31 0.09 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 25' ' ' HIS . 1.7 pt -154.47 136.12 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.543 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.667 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -101.95 147.98 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.112 0.482 . . . . 0.0 111.634 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -158.31 123.05 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.48 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.466 ' CD2' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.3 136.76 6.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.968 0.413 . . . . 0.0 111.002 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HD2' HD21 ' A' ' 55' ' ' LEU . 2.9 tttm -51.69 -30.73 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.65 -46.51 58.44 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.644 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.697 ' HB3' HD11 ' A' ' 76' ' ' ILE . 15.5 m-70 -55.65 -42.77 75.5 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.853 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.9 tpp -70.71 -53.73 14.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.06 -30.57 62.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -90.92 -20.35 22.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.268 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 62.62 72.09 0.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.936 0.398 . . . . 0.0 110.632 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.27 126.07 43.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.49 -22.73 34.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.999 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' HB1' ' A' ' 40' ' ' ALA . 10.0 pt -49.86 -27.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.537 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 68' ' ' HIS . 41.0 mt -75.35 133.4 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.93 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -112.29 164.12 16.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.985 0.421 . . . . 0.0 111.174 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.711 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 35.7 Cg_endo -66.6 156.51 65.27 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.57 2.18 . . . . 0.0 112.383 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.3 t -57.83 146.28 32.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -89.89 -42.3 11.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.869 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.4 m . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 120.829 0.347 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -131.54 118.58 20.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.933 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.91 109.45 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.045 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.08 134.35 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 6.5 t60 -166.34 110.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.271 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 30.07 80.1 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.22 12.14 43.02 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.672 -0.775 . . . . 0.0 113.51 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.33 133.8 53.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.452 0.626 . . . . 0.0 111.99 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.08 72.64 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.239 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.5 m-85 -63.18 160.19 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.968 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.473 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.5 mm -129.1 132.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.238 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.52 112.62 2.89 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.509 2.14 . . . . 0.0 112.41 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -153.39 166.15 33.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.616 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.9 mt -111.22 156.36 21.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.456 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.6 m-85 -136.68 112.0 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 111.026 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -19.14 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.06 169.27 9.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.807 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.92 99.18 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.787 2.324 . . . . 0.0 112.591 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.0 m -114.14 138.09 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -99.3 139.6 34.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.387 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -86.83 141.17 29.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.363 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.53 -38.59 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.588 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -55.58 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.377 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 p -84.79 -168.03 2.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.0 mmt -98.56 -23.41 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 153.01 11.22 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.21 178.16 5.13 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.665 2.244 . . . . 0.0 112.4 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 63' ' ' LYS . 42.6 tp -148.44 104.73 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.445 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 51.3 p-90 169.27 -178.16 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.84 134.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.1 mtm -91.6 -31.47 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -85.5 -69.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -125.76 93.84 43.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.616 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.3 Cg_endo -63.3 120.98 8.63 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.516 2.144 . . . . 0.0 111.994 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.22 155.06 61.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.524 2.149 . . . . 0.0 112.28 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.03 94.16 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.473 2.115 . . . . 0.0 112.059 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.63 158.8 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 37.4 mt -119.08 109.79 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -98.19 131.17 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.286 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.431 ' CB ' HG13 ' A' ' 62' ' ' ILE . 43.6 t -74.27 136.0 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -96.2 30.44 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -134.19 -74.48 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.021 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -87.73 -14.1 40.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 76.07 89.41 0.08 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.372 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.431 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -153.19 134.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HB2' HD23 ' A' ' 45' ' ' LEU . 2.2 mptt -102.38 146.41 28.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.946 0.403 . . . . 0.0 111.389 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' HIS . 6.1 p -158.68 113.97 2.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.756 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.525 ' CE1' ' NE2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.54 134.78 0.09 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 112.085 -179.586 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -53.46 -30.66 41.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.537 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -44.93 43.16 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.546 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.835 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -53.97 -48.34 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.974 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.1 tpp -63.65 -51.17 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.994 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -29.28 60.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -94.06 -18.42 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.93 61.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.511 ' OE1' HD13 ' A' ' 75' ' ' ILE . 7.4 mt-10 -87.52 121.77 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.996 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.98 -23.32 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.588 HG13 ' HB1' ' A' ' 40' ' ' ALA . 15.4 pt -48.62 -28.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.391 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.835 HD11 ' HB3' ' A' ' 68' ' ' HIS . 61.2 mt -77.11 122.65 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -104.57 164.23 15.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 27.7 Cg_endo -63.68 161.82 30.62 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.568 2.179 . . . . 0.0 112.371 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.2 t -60.86 145.53 49.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -89.98 -37.84 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.343 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.564 HG22 ' SG ' ' A' ' 79' ' ' CYS . 28.0 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.49 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.726 0.298 . . . . 0.0 110.625 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.22 117.54 17.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.493 HD13 HD22 ' A' ' 55' ' ' LEU . 3.6 mp -75.84 109.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.94 134.38 37.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.546 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 26.0 t-80 -165.81 109.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.251 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' HIS . 1.5 ptpt 29.28 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.87 12.34 35.07 Favored Glycine 0 C--N 1.328 0.109 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.508 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.59 135.57 53.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.374 0.587 . . . . 0.0 111.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.15 76.54 1.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.6 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 34.2 m-85 -65.61 160.48 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 4.2 mm -127.87 132.17 24.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.142 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.3 Cg_endo -69.54 115.53 4.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.487 2.125 . . . . 0.0 112.5 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -155.37 165.24 37.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.843 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.1 mt -111.32 158.49 18.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 69.9 m-85 -134.51 113.02 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -84.08 -15.25 48.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 5.8 m-85 -107.04 170.97 5.08 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.74 0.305 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 25.9 Cg_exo -62.9 104.1 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.669 2.246 . . . . 0.0 112.615 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.751 HG23 ' HD3' ' A' ' 63' ' ' LYS . 5.1 m -115.45 129.14 56.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.002 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -92.64 115.49 28.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.459 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 163.59 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.91 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.84 -34.48 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 111.347 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.688 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -63.3 -86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.512 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.8 p -80.22 -169.59 2.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.893 0.378 . . . . 0.0 111.178 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.3 mmt -99.33 -22.61 15.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.91 151.08 8.99 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.996 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.94 160.74 48.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.595 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.767 HD12 ' CD2' ' A' ' 65' ' ' HIS . 4.2 tt -134.15 104.52 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 55.4 p-90 174.86 -178.39 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.41 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -179.12 148.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.594 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -96.82 -47.73 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.98 -75.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 25.8 mmtp -114.95 96.19 44.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.847 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.4 Cg_endo -64.53 123.44 11.74 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.475 2.117 . . . . 0.0 112.172 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 37.9 Cg_endo -66.59 153.76 76.83 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.48 2.12 . . . . 0.0 112.177 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.06 93.57 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.8 157.01 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.749 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 24.3 mt -120.92 121.46 38.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.977 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.9 tt0 -107.74 133.87 51.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.429 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.4 t -73.0 137.08 45.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.675 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.87 31.46 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.41 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.4 -75.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.791 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 21.0 p -87.85 -5.41 58.61 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.5 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 7.8 m-70 66.01 90.32 0.09 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.004 0.43 . . . . 0.0 111.029 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 25' ' ' HIS . 3.3 pt -148.92 131.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.535 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.751 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -98.0 146.86 25.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.357 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.9 m -158.15 123.21 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.767 ' CD2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.14 136.16 12.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.892 0.377 . . . . 0.0 110.659 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.54 ' HD2' HD21 ' A' ' 55' ' ' LEU . 3.6 tttm -51.41 -30.65 20.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.9 -45.7 64.31 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.855 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.871 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -53.74 -50.34 66.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.142 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.6 tpp -62.53 -48.34 79.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -30.7 69.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -88.89 -21.5 23.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? 65.33 53.19 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.44 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.13 126.14 30.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.71 -23.08 39.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.688 HG13 ' HB1' ' A' ' 40' ' ' ALA . 10.1 pt -50.03 -27.28 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.505 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.871 HD11 ' HB3' ' A' ' 68' ' ' HIS . 53.5 mt -77.23 143.75 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.895 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -129.55 163.74 44.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.415 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.697 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 31.9 Cg_endo -65.14 166.46 18.82 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.777 2.318 . . . . 0.0 112.537 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.58 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -71.26 146.6 48.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -38.0 7.95 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.474 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.6 m . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.716 0.293 . . . . 0.0 111.412 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.84 0.352 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -135.4 117.2 15.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.41 HD13 HD22 ' A' ' 55' ' ' LEU . 4.3 mp -75.85 110.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.8 t -77.78 137.72 38.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.498 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 5.1 t-160 -167.02 105.33 0.57 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.108 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt 30.05 79.5 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.99 6.78 47.09 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.651 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -121.22 132.42 54.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.304 0.552 . . . . 0.0 111.713 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' HB2' ' NE ' ' A' ' 59' ' ' ARG . 15.5 mp0 -121.65 69.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 13.2 m-85 -57.36 160.48 3.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.08 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.747 HD11 ' HD2' ' A' ' 58' ' ' ARG . 3.8 mm -130.19 133.02 24.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.297 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.49 112.8 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.492 2.128 . . . . 0.0 112.275 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -153.62 165.36 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.81 HD13 ' HG2' ' A' ' 51' ' ' PRO . 64.0 mt -111.24 158.23 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 38.7 m-85 -132.4 121.27 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.725 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -90.92 -17.82 25.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.9 m-85 -105.21 171.52 4.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.711 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 23.5 Cg_exo -64.54 102.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.712 2.275 . . . . 0.0 112.644 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.83 HG23 ' HD3' ' A' ' 63' ' ' LYS . 3.0 m -113.89 123.86 50.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.066 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -90.02 116.71 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.569 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.9 156.46 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.191 179.681 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -36.42 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.267 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -59.08 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.3 p -81.12 -163.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.0 mtm -104.29 -24.73 13.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 156.4 0.67 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.758 0.313 . . . . 0.0 111.07 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 69.2 Cg_endo -74.75 154.99 44.16 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.602 2.201 . . . . 0.0 112.851 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -128.73 98.31 4.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.17 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 63.3 p-90 172.58 -178.75 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.994 0.426 . . . . 0.0 111.256 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.403 ' HB2' ' HD3' ' A' ' 52' ' ' PRO . 0.0 OUTLIER 174.06 132.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.508 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 mtm -83.26 -49.53 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -69.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -117.76 95.01 47.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.81 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -65.44 125.4 14.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.485 2.123 . . . . 0.0 112.199 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD3' ' HB2' ' A' ' 47' ' ' HIS . 57.4 Cg_endo -71.4 156.93 57.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.537 2.158 . . . . 0.0 112.181 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.57 92.42 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.459 2.106 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.744 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -93.61 146.75 23.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.393 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 66' ' ' LYS . 22.3 mt -106.45 118.81 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.34 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.3 tt0 -101.48 141.04 34.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.428 ' HB2' ' CG1' ' A' ' 62' ' ' ILE . 41.6 t -80.57 133.66 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.638 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.747 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -93.82 28.82 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 1.9 mpt_? -133.86 -78.63 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.1 p -81.47 -8.19 59.69 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.495 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 20.9 m170 68.42 87.92 0.12 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.05 0.452 . . . . 0.0 111.49 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.5 pt -143.21 -177.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.697 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.83 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -147.71 144.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.221 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.8 p -158.65 119.13 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.465 ' CE1' ' NE2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -39.53 135.59 1.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.942 0.401 . . . . 0.0 111.393 -179.769 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.492 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.58 -30.7 21.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.17 -45.6 61.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.827 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.895 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.3 m-70 -53.38 -45.95 69.44 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.067 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.451 ' HE1' ' HB2' ' A' ' 22' ' ' HIS . 24.8 tpp -65.06 -53.52 44.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.08 -30.12 61.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.048 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -90.5 -21.95 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp 62.24 72.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.77 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -99.46 126.53 45.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.07 -23.57 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.951 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' HB1' ' A' ' 40' ' ' ALA . 12.4 pt -49.78 -27.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.43 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.895 HD11 ' HB3' ' A' ' 68' ' ' HIS . 57.5 mt -76.96 128.48 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -111.4 164.31 15.32 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 0.0 111.309 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 33.0 Cg_endo -65.45 168.33 14.83 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.9 t -70.44 146.56 50.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -91.9 -45.92 8.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 30.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.665 0.269 . . . . 0.0 111.492 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.732 0.301 . . . . 0.0 110.718 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.75 116.68 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.82 109.31 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.968 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.7 t -80.28 131.73 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 1.1 t60 -164.99 111.76 0.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 30.27 80.4 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.92 12.44 35.92 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.709 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.69 134.07 53.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.378 0.589 . . . . 0.0 111.916 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.4 73.47 1.18 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.33 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.6 m-85 -63.01 160.21 15.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.4 mm -128.65 130.83 23.49 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.5 Cg_endo -69.21 115.22 3.91 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.757 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 t -154.36 166.69 32.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.967 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.5 mt -111.18 158.89 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.6 m-85 -134.46 119.69 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 1.3 m80 -88.35 -17.28 30.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 2.0 p90 -108.69 167.9 8.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 33.8 Cg_exo -60.05 110.36 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.674 2.25 . . . . 0.0 112.547 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.832 HG23 ' HD3' ' A' ' 63' ' ' LYS . 1.5 m -118.46 126.81 52.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.992 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -87.82 117.27 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.4 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.16 155.47 40.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.07 179.295 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -91.95 -30.3 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.504 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.628 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -64.65 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.607 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.4 p -79.46 -166.8 1.03 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.6 ptp -101.83 -26.43 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.68 152.05 10.22 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.029 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.99 61.35 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.683 2.256 . . . . 0.0 112.522 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.6 tt -129.19 103.83 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.712 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.444 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 65.5 p-90 172.65 -177.0 0.06 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.114 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -178.07 136.57 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mtm -86.52 -40.39 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -83.25 -76.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -112.3 96.09 33.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.644 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -66.06 122.71 10.3 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.358 2.039 . . . . 0.0 112.19 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.4 158.67 56.57 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.524 2.149 . . . . 0.0 112.204 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.1 94.62 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.666 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.71 162.49 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 54' ' ' ALA . 31.2 mt -123.9 115.2 20.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 20.8 tt0 -102.34 134.17 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.406 ' HB2' HG13 ' A' ' 62' ' ' ILE . 41.6 t -75.76 135.57 40.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.526 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -95.18 30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.7 -76.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.908 179.856 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.0 p -86.64 -7.13 58.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.464 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.0 m80 68.15 90.75 0.09 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -151.05 133.94 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.562 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.832 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -100.75 147.01 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 0.0 111.523 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -158.29 123.92 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.764 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.439 ' ND1' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.46 136.71 9.51 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.957 0.408 . . . . 0.0 110.885 -179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.59 -30.88 22.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.101 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -45.35 63.29 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.734 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.886 ' HB3' HD11 ' A' ' 76' ' ' ILE . 14.3 m-70 -55.36 -42.64 74.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.946 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.5 tpp -67.01 -49.14 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -27.96 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -87.67 -19.08 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.387 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.99 51.1 2.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.627 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -79.45 124.52 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.966 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.33 -22.7 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.628 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.0 pt -49.99 -26.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.555 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.886 HD11 ' HB3' ' A' ' 68' ' ' HIS . 54.9 mt -77.57 134.27 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -119.39 163.76 25.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.342 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.8 Cg_endo -64.53 165.93 19.0 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.655 2.237 . . . . 0.0 112.463 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.578 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.1 t -68.71 146.51 52.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HD2' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -95.18 -42.88 8.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.685 -179.55 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.443 HG22 ' SG ' ' A' ' 79' ' ' CYS . 32.6 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 111.338 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.79 0.329 . . . . 0.0 110.73 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.44 120.22 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.655 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.9 mp -75.83 108.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.491 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 134.52 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -154.55 -176.81 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.744 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -50.46 91.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.194 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.23 14.54 26.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.799 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -126.54 136.79 53.04 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 112.104 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -124.99 82.99 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.94 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.5 m-85 -72.82 160.36 32.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.357 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.459 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.25 132.96 24.64 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.055 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 51.6 Cg_endo -69.75 116.32 4.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.487 2.125 . . . . 0.0 112.583 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -155.96 166.56 33.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.624 HD13 ' HG2' ' A' ' 51' ' ' PRO . 40.6 mt -111.23 157.46 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 55.3 m-85 -134.34 119.24 18.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -93.07 -12.83 29.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.022 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -106.07 161.46 22.76 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.629 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.489 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 15.4 Cg_endo -57.19 99.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.639 2.226 . . . . 0.0 112.748 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -111.93 129.42 56.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.058 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -96.08 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.312 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 159.23 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -35.49 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.544 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -57.84 -86.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.506 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -81.17 -168.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.062 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.71 43.4 2.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.178 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 157.5 45.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 56.0 Cg_endo -70.8 131.69 20.24 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.609 2.206 . . . . 0.0 112.588 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.9 tt -112.27 105.74 14.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.489 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 54.4 p-90 169.53 -178.32 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 110.997 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.41 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER 179.33 130.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.654 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ptp -79.01 -46.32 18.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -74.09 -73.26 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.372 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 23.7 mmtt -120.05 95.2 49.07 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.296 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HG2' HD13 ' A' ' 31' ' ' LEU . 32.6 Cg_endo -64.06 122.51 10.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.504 2.136 . . . . 0.0 112.081 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 42.9 Cg_endo -67.74 156.34 66.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.519 2.146 . . . . 0.0 112.274 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.59 93.19 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.501 2.134 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.74 159.74 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 33.5 mt -119.26 116.48 26.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.007 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 7.4 tt0 -101.49 134.33 44.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.211 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.409 ' CB ' HG13 ' A' ' 62' ' ' ILE . 38.6 t -75.13 134.83 41.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.478 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' CD ' HD11 ' A' ' 28' ' ' ILE . 5.5 ptm180 -95.21 32.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.5 -76.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.907 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.473 ' HB3' HG13 ' A' ' 81' ' ' VAL . 18.9 p -87.56 -7.97 56.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.495 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 69.68 92.63 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 0.0 111.238 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.0 pt -153.88 135.53 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 1.9 mptt -100.51 148.25 24.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.04 0.448 . . . . 0.0 111.552 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 33.5 m -158.15 121.46 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.489 ' N ' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.5 135.55 4.69 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 111.075 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.39 -30.86 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.032 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.33 -45.92 62.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.869 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.694 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.8 m-70 -54.32 -49.91 68.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.029 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.655 ' HG2' HG21 ' A' ' 20' ' ' ILE . 49.4 tpp -63.55 -49.66 72.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -30.82 69.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -88.65 -20.97 24.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 64.51 58.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 0.0 110.734 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.65 125.95 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.14 -22.24 50.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.6 pt -49.52 -28.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.621 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 68' ' ' HIS . 46.4 mt -73.23 137.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.722 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -117.21 164.87 17.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.722 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 34.9 Cg_endo -66.53 156.77 63.9 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.573 2.182 . . . . 0.0 112.482 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 81' ' ' VAL . 7.2 t -58.86 142.15 51.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -86.52 -42.19 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.676 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.5 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.634 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.727 0.299 . . . . 0.0 110.501 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.51 116.82 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.74 110.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.065 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.53 133.84 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.485 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 40.1 t-80 -165.86 110.93 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.219 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt 30.14 80.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.4 12.25 38.23 Favored Glycine 0 C--O 1.23 -0.103 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.604 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -123.5 133.57 54.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.418 0.609 . . . . 0.0 111.937 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -122.48 72.37 1.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.6 m-85 -62.15 160.29 13.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.021 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.456 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.8 mm -128.75 131.93 24.05 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.13 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 55.4 Cg_endo -70.56 117.03 4.9 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.518 2.146 . . . . 0.0 112.625 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t -157.42 166.67 32.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.94 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' HG2' ' A' ' 51' ' ' PRO . 88.5 mt -111.23 159.02 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 58.8 m-85 -135.88 117.97 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.048 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 4.1 m170 -86.58 -20.6 27.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.8 m-85 -100.15 170.38 6.77 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 20.7 Cg_exo -65.95 105.91 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.845 2.363 . . . . 0.0 112.446 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.7 m -117.38 126.4 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.147 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -88.59 113.86 24.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 164.35 5.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.267 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -98.03 -36.86 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -57.54 -85.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.5 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.1 p -82.72 -171.94 3.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -93.96 -26.9 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 152.61 10.52 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.16 178.87 4.37 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.363 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.7 tt -147.93 102.2 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 177.46 179.28 0.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.11 0.481 . . . . 0.0 111.011 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.31 138.23 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 ptp -93.46 -44.15 8.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -73.01 -65.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -129.04 93.55 36.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.654 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.0 Cg_endo -64.37 126.65 17.39 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.416 2.077 . . . . 0.0 112.016 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.69 155.58 44.42 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.496 2.13 . . . . 0.0 112.368 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.36 95.64 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.526 2.15 . . . . 0.0 112.128 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.782 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.54 159.25 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.511 HD21 ' HD2' ' A' ' 66' ' ' LYS . 31.3 mt -119.29 111.51 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.8 tt0 -99.65 135.95 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.42 ' HB2' HG13 ' A' ' 62' ' ' ILE . 43.7 t -78.19 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.591 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' CD ' HD11 ' A' ' 28' ' ' ILE . 2.9 ptm180 -93.27 29.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -134.81 -76.0 0.46 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.968 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 18.4 p -88.35 -4.9 58.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.465 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.9 m80 66.85 92.26 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.091 0.472 . . . . 0.0 111.292 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.7 pt -153.83 132.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.381 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 5.1 mptt -102.73 147.18 27.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.817 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.2 p -158.39 122.05 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.531 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.463 ' N ' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.05 136.53 2.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.43 -30.9 20.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -46.26 61.67 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.644 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.867 ' HB3' HD11 ' A' ' 76' ' ' ILE . 13.4 m-70 -54.35 -40.34 67.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.807 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 40.8 tpp -70.54 -53.2 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.04 -30.78 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -87.76 -22.0 24.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.97 73.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.389 . . . . 0.0 110.589 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.84 128.48 48.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.4 -23.0 35.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.988 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.626 HG13 ' HB1' ' A' ' 40' ' ' ALA . 11.6 pt -49.56 -27.31 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.419 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 68' ' ' HIS . 53.0 mt -79.62 135.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.935 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -120.11 164.6 21.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.189 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.2 Cg_endo -64.53 166.85 16.41 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.626 2.217 . . . . 0.0 112.391 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.586 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.7 t -69.35 146.26 52.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -92.7 -46.6 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.228 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 ' SG ' ' A' ' 79' ' ' CYS . 27.7 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.453 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -129.96 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.128 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.604 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.66 106.8 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.606 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.42 132.72 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -150.85 -168.02 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -53.24 90.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.27 14.37 25.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.774 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -125.11 139.01 54.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.285 0.564 . . . . 0.0 112.27 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 77.1 1.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.996 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.519 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.2 m-85 -68.07 160.49 28.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.316 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.521 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.6 mm -130.21 133.7 25.24 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.025 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.6 Cg_endo -69.09 113.79 3.38 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.445 2.096 . . . . 0.0 112.571 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -153.48 166.54 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.715 HD13 ' HG2' ' A' ' 51' ' ' PRO . 66.7 mt -111.32 157.4 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 m-85 -138.02 108.25 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -18.79 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.407 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 6.6 m-85 -99.88 170.54 6.62 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 21.3 Cg_exo -65.73 109.31 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.709 2.273 . . . . 0.0 112.551 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.7 m -120.57 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.939 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -88.06 113.36 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.426 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.7 155.97 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.041 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.24 -31.42 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.516 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -62.33 -88.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.5 p -79.59 -173.16 3.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.3 -25.74 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 149.9 28.09 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.28 163.85 37.17 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.524 2.149 . . . . 0.0 112.425 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.2 tt -132.51 103.52 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.41 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 9.0 p-90 175.79 -176.94 0.12 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.02 142.21 0.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.572 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -40.72 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -86.44 -78.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.323 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -110.39 96.9 28.99 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.12 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.715 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.7 Cg_endo -64.79 121.97 9.67 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.373 2.049 . . . . 0.0 112.081 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 155.83 68.66 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.153 . . . . 0.0 112.403 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.55 93.24 0.2 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.514 2.143 . . . . 0.0 112.176 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.669 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.71 160.42 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.011 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.604 HD22 HD13 ' A' ' 20' ' ' ILE . 38.8 mt -121.16 115.49 23.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.94 134.99 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.418 ' CB ' HG13 ' A' ' 62' ' ' ILE . 42.1 t -76.12 134.58 39.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.521 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -95.29 31.9 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.438 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -136.22 -76.5 0.43 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 p -85.47 -14.03 47.33 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.294 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.2 m170 76.09 89.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -154.19 135.29 5.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.658 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 5.5 mptt -100.74 150.2 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.023 0.44 . . . . 0.0 111.658 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 m -158.3 122.11 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.561 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' ND1' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.86 135.5 7.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -30.77 22.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -45.4 57.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.744 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.628 ' HB3' HD11 ' A' ' 76' ' ' ILE . 13.3 m-70 -54.73 -52.01 63.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.016 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.21 -48.2 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.54 -31.29 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -87.71 -16.04 35.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.293 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 64.37 59.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.969 0.414 . . . . 0.0 110.61 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -83.92 144.12 29.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.036 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -93.23 36.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.299 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.784 HG13 ' HB1' ' A' ' 40' ' ' ALA . 7.4 pt -110.24 -22.42 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.628 HD11 ' HB3' ' A' ' 68' ' ' HIS . 31.1 mt -76.87 124.63 35.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -98.9 163.62 18.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.112 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.697 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 28.5 Cg_endo -63.39 154.24 69.57 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.229 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 9.1 t -54.03 146.31 14.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.603 ' HE2' HG13 ' A' ' 81' ' ' VAL . 1.2 pttt -87.96 -35.65 17.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.58 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.603 HG13 ' HE2' ' A' ' 80' ' ' LYS . 33.4 m . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.696 0.284 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -105.26 98.28 8.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -133.29 31.13 3.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -140.86 99.78 3.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.37 133.27 87.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.21 -167.61 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.485 2.124 . . . . 0.0 112.303 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -121.63 49.64 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 t80 60.38 70.79 0.94 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.24 176.67 9.82 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.647 2.231 . . . . 0.0 112.407 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.55 115.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -96.2 100.1 6.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.3 -166.96 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.366 2.044 . . . . 0.0 112.371 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 13' ' ' VAL . 8.7 p -63.8 115.77 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.93 -19.32 47.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.819 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -54.69 -57.97 9.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.863 0.363 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.41 87.97 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -95.91 94.29 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.019 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 2.3 m-80 -78.75 174.68 11.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.624 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.416 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -135.52 119.76 17.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.055 0.455 . . . . 0.0 111.244 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.545 HD13 HD22 ' A' ' 55' ' ' LEU . 3.9 mp -75.83 105.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.558 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.4 135.7 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -155.07 -175.82 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.655 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.2 ptpp? -50.6 90.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.51 13.34 30.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.783 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -126.05 135.77 52.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.105 0.479 . . . . 0.0 112.084 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.55 78.41 1.59 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.481 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 3.3 m-85 -67.56 160.44 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.356 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.627 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -130.69 132.88 24.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.973 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 47.8 Cg_endo -69.07 114.5 3.61 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.328 2.019 . . . . 0.0 112.222 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -158.07 164.34 36.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.89 HD13 ' HG2' ' A' ' 51' ' ' PRO . 71.4 mt -111.34 157.75 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 10.3 m-85 -137.06 96.27 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -15.25 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -99.7 167.23 11.44 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.622 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.35 99.41 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.677 2.252 . . . . 0.0 112.519 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.724 HG23 ' HD3' ' A' ' 63' ' ' LYS . 29.3 m -113.09 137.04 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.0 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -100.63 134.48 43.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 111.705 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -75.99 147.18 39.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.881 179.259 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HG3' HG21 ' A' ' 62' ' ' ILE . 3.7 mm-40 -85.96 -34.74 20.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.416 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.706 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -62.0 -89.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.5 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.4 p -79.33 -168.01 1.38 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.748 0.309 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -115.77 58.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.14 159.03 72.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.28 136.73 29.66 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.541 2.16 . . . . 0.0 112.613 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.835 HD21 ' HB1' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -117.93 103.87 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.597 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.431 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 56.1 p-90 167.95 -178.29 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.5 132.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.751 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -40.97 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -81.61 -74.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -114.8 94.97 39.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.89 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -66.39 122.55 10.03 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.5 2.133 . . . . 0.0 112.133 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.72 151.08 63.3 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.471 2.114 . . . . 0.0 112.174 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.02 92.45 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.407 2.071 . . . . 0.0 111.79 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' HD21 ' A' ' 45' ' ' LEU . . . -90.69 143.34 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.667 HD21 ' HD2' ' A' ' 66' ' ' LYS . 37.7 mt -105.74 112.38 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.7 tt0 -97.9 139.76 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.116 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.7 t -80.6 134.79 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.652 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.627 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.29 30.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.76 -74.09 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.526 ' SG ' HG23 ' A' ' 62' ' ' ILE . 28.1 p -85.4 -7.37 58.98 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.508 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.3 m170 68.14 81.32 0.19 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.095 0.474 . . . . 0.0 111.308 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 pt -138.13 -174.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.724 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.2 OUTLIER -149.7 147.95 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.045 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -158.02 121.41 3.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.48 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.774 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -42.5 133.59 3.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.667 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.28 -30.52 18.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.001 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -50.83 -46.76 60.16 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.78 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.774 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 10.3 m-70 -51.33 -51.29 55.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.248 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.2 tpp -62.53 -46.73 87.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.06 -29.71 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -94.25 -19.54 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm 63.88 74.72 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.386 . . . . 0.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -101.45 127.53 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -22.44 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.706 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.0 pt -48.59 -34.49 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.584 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.586 HD11 ' HB3' ' A' ' 68' ' ' HIS . 43.8 mt -65.66 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -118.89 164.76 19.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 111.268 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.71 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 38.8 Cg_endo -68.97 157.58 61.31 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.655 2.237 . . . . 0.0 112.478 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.5 t -62.23 146.31 51.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.511 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -95.94 -40.49 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.829 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.541 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.3 m -62.55 -21.84 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.298 . . . . 0.0 111.498 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -87.26 53.71 2.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -179.3 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.8 t0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.708 0.29 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 60.72 96.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.25 171.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.33 103.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -83.13 128.07 66.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.32 148.42 61.41 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.375 2.05 . . . . 0.0 112.098 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mm-40 63.92 130.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -102.09 82.25 0.4 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 7' ' ' GLU . 36.7 Cg_endo -65.18 -174.32 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.607 2.204 . . . . 0.0 112.251 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 10' ' ' VAL . 8.7 p -71.14 100.24 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 4.4 mt-10 -85.79 114.28 56.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG3' ' HA ' ' A' ' 30' ' ' THR . 11.8 Cg_endo -57.42 171.38 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.515 2.143 . . . . 0.0 112.151 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 13' ' ' VAL . 5.0 t 58.3 28.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.168 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.08 -155.02 7.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -34.54 58.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.918 0.39 . . . . 0.0 111.048 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -110.1 127.42 54.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 m -162.42 114.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -60.1 174.44 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -146.31 118.5 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.146 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.449 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.84 105.59 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.559 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -77.97 137.34 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -156.1 -169.45 3.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -53.1 88.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.211 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.45 12.05 37.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.918 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.75 138.33 54.29 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.176 0.513 . . . . 0.0 112.203 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.87 77.77 1.75 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.987 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 2.7 m-85 -67.57 160.46 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.26 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.493 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -128.55 130.92 23.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.102 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.07 112.04 2.84 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.571 2.181 . . . . 0.0 112.186 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.536 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 7.2 t -156.93 170.39 22.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 0.0 111.454 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.829 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.2 mt -113.45 157.74 21.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.549 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.448 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 9.6 m-85 -134.58 107.37 7.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 3.3 m-70 -79.95 -5.94 56.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.339 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -110.69 169.33 6.44 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.4 106.55 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.784 2.323 . . . . 0.0 112.624 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.77 HG23 ' HD3' ' A' ' 63' ' ' LYS . 1.2 m -121.68 141.45 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.212 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.68 141.23 36.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.14 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -87.17 148.37 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.389 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.74 -38.45 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.65 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.329 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.79 -164.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.705 0.288 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -119.46 47.42 1.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.75 159.82 44.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.38 141.66 43.28 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.514 HD23 ' HB2' ' A' ' 63' ' ' LYS . 25.2 tp -121.8 101.02 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 169.61 -177.94 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.94 143.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -41.81 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.21 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.98 -78.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.168 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -112.13 95.56 30.65 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.242 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.829 ' HG2' HD13 ' A' ' 31' ' ' LEU . 38.1 Cg_endo -66.57 125.73 14.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.357 2.038 . . . . 0.0 112.238 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 156.41 56.43 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.497 2.131 . . . . 0.0 112.186 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.37 91.91 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.539 2.159 . . . . 0.0 112.09 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -90.8 139.15 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 26.0 mt -100.83 110.66 22.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.3 tt0 -97.3 139.94 32.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.402 ' CB ' ' CG1' ' A' ' 62' ' ' ILE . 41.1 t -80.78 134.27 35.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.574 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.493 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.1 30.79 1.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 3.7 mtt-85 -135.39 -73.52 0.46 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.501 ' SG ' HG23 ' A' ' 62' ' ' ILE . 25.1 p -86.72 -6.05 58.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.669 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 1.7 m-70 67.24 81.05 0.2 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.092 0.472 . . . . 0.0 111.326 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 3.9 pt -138.68 -179.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.757 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.77 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -148.18 145.56 28.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 111.267 179.743 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 65' ' ' HIS . 7.2 p -158.67 113.89 2.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.771 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.21 134.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 0.0 111.992 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.73 -30.65 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.661 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -47.03 51.15 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.573 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.771 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.6 m-70 -52.1 -52.96 48.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.038 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.4 tpp -63.42 -50.87 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.24 -28.63 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -94.91 -17.42 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.37 79.21 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.779 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -108.12 121.51 44.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.05 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.55 -22.77 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.557 HG13 ' HB1' ' A' ' 40' ' ' ALA . 19.5 pt -47.74 -28.58 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 68' ' ' HIS . 44.8 mt -72.8 129.75 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -108.44 164.89 13.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.9 Cg_endo -65.08 157.51 56.89 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.544 2.163 . . . . 0.0 112.457 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.4 t -58.02 146.38 32.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.664 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -88.12 -41.88 12.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.837 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.498 HG22 ' SG ' ' A' ' 79' ' ' CYS . 31.5 m -69.73 -8.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -47.15 -29.3 2.2 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.862 0.363 . . . . 0.0 111.228 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.38 -62.85 1.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.776 0.322 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.17 168.84 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.28 99.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? 60.7 111.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.97 141.28 81.49 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.804 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.72 -170.33 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.547 2.165 . . . . 0.0 112.34 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.49 91.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -108.79 92.5 10.56 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.44 -175.46 1.09 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.383 2.055 . . . . 0.0 112.228 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -91.7 149.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -83.38 110.03 21.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.82 175.82 9.14 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.397 2.065 . . . . 0.0 112.343 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' VAL . 29.6 m -63.33 105.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.83 -26.47 37.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.652 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.83 -35.06 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.03 102.58 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -146.98 103.83 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.6 174.51 0.76 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.401 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -133.65 117.33 16.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.962 0.411 . . . . 0.0 111.094 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.589 HD13 HD22 ' A' ' 55' ' ' LEU . 3.8 mp -75.86 111.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.895 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.13 134.64 35.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.455 ' CD2' ' HE1' ' A' ' 69' ' ' MET . 2.6 t60 -165.96 109.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 29.82 80.5 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.34 10.19 40.68 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.699 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.99 133.53 54.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.415 0.608 . . . . 0.0 112.014 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.29 70.99 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.8 m-85 -61.73 160.28 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.8 mm -128.47 133.45 25.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.56 114.77 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.372 2.048 . . . . 0.0 112.55 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -154.67 165.42 36.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.883 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 ' HG2' ' A' ' 51' ' ' PRO . 54.6 mt -115.05 152.81 31.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CE1' ' HG2' ' A' ' 63' ' ' LYS . 25.1 m-85 -131.16 110.59 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -80.82 -12.63 59.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 4.0 m-85 -104.94 170.56 5.85 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 34.6 Cg_exo -61.87 108.95 0.71 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.658 2.239 . . . . 0.0 112.572 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.3 m -122.95 128.67 50.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -94.63 111.86 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.223 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -56.4 155.09 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.172 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.34 -36.16 14.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.608 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -58.08 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.493 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.9 p -80.07 -165.66 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.717 0.294 . . . . 0.0 111.157 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 mtm -101.76 -26.22 13.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.336 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.13 153.57 4.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.24 169.18 20.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.597 2.198 . . . . 0.0 112.57 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.75 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.6 tt -144.34 105.27 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 172.94 -178.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 111.208 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 179.65 137.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.468 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 mtm -86.13 -37.76 18.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -87.78 -76.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -111.64 95.45 27.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 31' ' ' LEU . 40.9 Cg_endo -67.7 129.64 20.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.424 2.083 . . . . 0.0 112.004 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 151.56 56.82 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.496 2.13 . . . . 0.0 112.314 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.84 92.91 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.59 2.193 . . . . 0.0 112.265 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.75 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.87 158.12 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.747 HD21 ' HD2' ' A' ' 66' ' ' LYS . 43.3 mt -117.98 113.64 21.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.0 tt0 -100.5 131.3 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.265 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.417 ' CB ' HG13 ' A' ' 62' ' ' ILE . 43.5 t -73.72 135.93 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -94.82 29.68 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -134.55 -74.8 0.47 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.443 ' HB3' HG13 ' A' ' 81' ' ' VAL . 22.1 p -88.39 -6.5 57.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 3.0 m170 67.13 87.63 0.12 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.879 0.371 . . . . 0.0 111.364 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.494 HD11 ' HE1' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -148.94 134.35 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.27 179.196 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.05 143.96 34.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.019 0.438 . . . . 0.0 111.771 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.6 m -155.19 129.8 9.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.022 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.789 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.91 133.98 8.25 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.995 0.426 . . . . 0.0 111.392 -179.353 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.747 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.71 -30.75 23.41 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -50.42 -46.17 56.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.819 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.789 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.1 m-70 -52.27 -52.55 52.12 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.019 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.455 ' HE1' ' CD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.14 -47.38 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -29.96 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -87.24 -15.92 36.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.65 39.0 6.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.42 144.48 56.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.44 43.16 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.246 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.608 HG13 ' HB1' ' A' ' 40' ' ' ALA . 7.6 pt -115.71 -27.35 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.383 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 ' HB3' ' A' ' 68' ' ' HIS . 19.9 mt -73.49 140.35 17.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -121.3 164.31 24.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.183 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.691 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 25.0 Cg_endo -62.35 158.16 41.85 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.549 2.166 . . . . 0.0 112.317 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -59.15 146.39 39.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -43.02 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.769 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.505 HG22 ' SG ' ' A' ' 79' ' ' CYS . 33.7 m -65.74 -14.94 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -51.18 -27.66 9.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -83.13 -62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.753 0.311 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -106.74 -34.16 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.3 108.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 105.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 147.88 94.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.71 -168.22 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.599 2.199 . . . . 0.0 112.402 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.66 101.32 4.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.786 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.7 t80 60.8 86.25 0.16 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.66 -175.73 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.588 2.192 . . . . 0.0 112.39 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 t -120.73 142.16 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.11 101.19 7.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.79 -167.63 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.44 2.093 . . . . 0.0 112.264 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.17 103.46 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.41 136.39 7.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.533 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.14 -60.49 3.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -77.07 90.94 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -96.6 118.85 33.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.423 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 4.0 m-20 -71.63 174.68 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.692 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -134.45 118.23 17.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 20' ' ' ILE . 4.1 mp -75.77 110.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -75.78 140.07 42.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -159.68 178.22 10.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.45 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.7 ptpp? -47.43 93.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 58.19 14.94 20.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.7 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.681 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -125.98 137.89 53.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.13 0.491 . . . . 0.0 112.105 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.04 77.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.732 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.2 m-85 -67.67 160.5 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.341 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.715 HD11 ' HD3' ' A' ' 58' ' ' ARG . 5.2 mm -129.75 133.76 25.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.096 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 55.6 Cg_endo -71.12 116.63 4.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.504 2.136 . . . . 0.0 112.549 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.46 163.86 39.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.884 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.668 HD13 ' HG2' ' A' ' 51' ' ' PRO . 62.0 mt -111.18 155.78 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.588 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.4 m-85 -137.5 96.61 3.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.206 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -68.8 -14.96 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 2.6 p90 -102.42 160.97 24.72 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 34' ' ' PHE . 17.8 Cg_endo -57.81 109.73 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.684 2.256 . . . . 0.0 112.574 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.796 HG23 ' HD3' ' A' ' 63' ' ' LYS . 2.8 m -121.88 132.93 54.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.957 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -94.39 114.33 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 111.552 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 163.23 3.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.912 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.87 -34.94 10.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.506 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.786 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -60.8 -85.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.548 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.5 p -80.42 -167.6 1.4 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.91 0.386 . . . . 0.0 111.096 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 mmt -100.69 -25.42 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -53.17 154.2 5.83 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.75 171.34 15.74 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.598 2.199 . . . . 0.0 112.544 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.8 tt -143.07 100.57 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 177.88 -176.34 0.18 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.078 0.466 . . . . 0.0 111.205 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.03 140.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.527 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.2 mtm -88.42 -41.06 13.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.207 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -82.4 -77.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 28.0 mmtp -114.34 96.52 43.12 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.076 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.668 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.2 Cg_endo -63.22 122.97 11.37 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.35 2.033 . . . . 0.0 112.112 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.17 155.71 68.4 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.591 2.194 . . . . 0.0 112.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.05 93.74 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.538 2.159 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.772 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.48 157.09 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.538 HD21 ' HD2' ' A' ' 66' ' ' LYS . 39.0 mt -118.19 116.27 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.28 137.04 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 48.4 t -77.63 135.02 38.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.715 ' HD3' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -96.28 29.25 2.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.65 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.577 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -135.98 -73.47 0.45 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.15 -4.87 57.03 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.545 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m80 65.92 90.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 111.284 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.681 HD11 ' CE1' ' A' ' 25' ' ' HIS . 13.6 pt -151.7 138.61 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.329 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -103.57 147.74 26.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.989 0.424 . . . . 0.0 111.509 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 64.1 m -158.1 122.5 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.822 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -46.33 136.16 7.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.34 -30.84 19.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.038 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.64 -46.25 63.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.822 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 11.9 m-70 -53.49 -53.32 53.15 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.105 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.451 ' HA ' ' HE3' ' A' ' 69' ' ' MET . 0.0 OUTLIER -65.4 -44.59 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -30.59 69.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -92.18 -13.25 30.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.05 37.35 6.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.701 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.53 142.18 28.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.17 37.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.786 HG13 ' HB1' ' A' ' 40' ' ' ALA . 8.4 pt -112.13 -21.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.252 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.561 HD11 ' HB3' ' A' ' 68' ' ' HIS . 32.2 mt -76.72 148.94 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -124.33 164.01 32.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.058 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.3 Cg_endo -64.82 148.75 90.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.528 2.152 . . . . 0.0 112.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.619 ' SG ' HG22 ' A' ' 81' ' ' VAL . 6.1 t -54.65 146.43 16.71 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -40.71 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.44 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.619 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.8 m -65.24 -26.65 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.471 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -58.57 -30.29 67.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -87.58 -61.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.899 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.794 0.331 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 60.72 108.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -176.11 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.77 175.23 6.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.65 136.68 70.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.79 -177.2 2.71 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.469 2.113 . . . . 0.0 112.373 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.68 82.25 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 57.94 80.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.59 -167.65 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.547 2.165 . . . . 0.0 112.237 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p 42.78 93.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.553 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 2.0 pm0 -96.12 100.16 6.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 11' ' ' GLU . 36.6 Cg_endo -66.06 173.66 6.91 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.399 2.066 . . . . 0.0 112.184 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -93.75 119.8 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.186 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.98 127.92 4.61 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.551 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -61.23 -38.05 85.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -87.03 89.29 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -97.03 109.93 22.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.03 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.407 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -60.51 174.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.791 179.802 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -133.05 117.56 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.912 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.517 HD13 HD22 ' A' ' 55' ' ' LEU . 4.1 mp -75.85 110.07 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.048 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.17 134.54 36.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 13.8 t60 -166.45 110.75 0.78 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.26 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt 29.49 79.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.39 11.67 48.17 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.49 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.74 134.16 53.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.397 0.598 . . . . 0.0 112.084 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.2 71.32 1.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.0 m-85 -61.68 160.37 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.853 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.431 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.17 132.38 24.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.076 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 49.7 Cg_endo -69.64 114.67 3.76 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.48 2.12 . . . . 0.0 112.403 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 t -155.5 168.04 28.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.729 HD13 ' HG2' ' A' ' 51' ' ' PRO . 54.2 mt -111.27 157.29 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 49.3 m-85 -135.99 111.32 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.028 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -86.47 -12.78 48.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.393 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -105.99 165.44 13.04 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.16 103.1 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.768 2.312 . . . . 0.0 112.867 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 17.0 m -119.81 141.29 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.034 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -101.17 146.32 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -95.78 143.76 26.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.229 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.47 -37.05 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.66 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.1 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.343 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -81.89 -169.91 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.1 mmt -95.94 -24.42 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 156.13 7.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.36 -167.97 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD23 ' HB2' ' A' ' 63' ' ' LYS . 36.6 tp -160.57 104.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.722 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 170.5 176.61 0.06 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.91 127.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -82.32 -48.42 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.05 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.94 -73.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -121.81 93.77 48.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.01 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.729 ' HG2' HD13 ' A' ' 31' ' ' LEU . 36.8 Cg_endo -65.48 119.81 6.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.47 2.113 . . . . 0.0 112.111 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.32 154.83 71.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.583 2.188 . . . . 0.0 112.364 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.33 94.85 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.055 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.55 158.11 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 20' ' ' ILE . 41.0 mt -117.15 109.47 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -97.23 133.25 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.178 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.1 t -76.77 134.99 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.631 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.8 29.3 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -134.58 -78.65 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.941 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.459 ' HB3' HG22 ' A' ' 81' ' ' VAL . 18.8 p -84.79 -7.9 59.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.289 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 36.2 m-70 69.19 94.43 0.07 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.941 0.4 . . . . 0.0 111.295 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 25' ' ' HIS . 1.8 pt -156.85 133.81 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.685 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' HB2' HD23 ' A' ' 45' ' ' LEU . 6.5 mptt -101.71 146.83 27.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.357 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.0 m -157.77 117.36 3.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.778 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.48 132.53 0.82 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.981 0.42 . . . . 0.0 111.779 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -30.65 23.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -49.11 -45.49 43.52 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.755 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.778 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 11.6 m-70 -53.52 -50.34 65.65 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.021 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.3 tpp -63.92 -49.56 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -29.91 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -90.1 -15.59 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.401 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.69 37.35 5.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.922 0.392 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.37 141.08 43.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -91.71 41.4 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.66 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.5 pt -115.41 -32.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.096 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.717 HD11 ' HB3' ' A' ' 68' ' ' HIS . 37.3 mt -64.82 138.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.698 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -117.56 164.55 18.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.698 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 24.2 Cg_endo -62.37 159.02 37.54 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.598 2.198 . . . . 0.0 112.294 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.2 t -59.32 146.51 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.26 -41.47 14.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.385 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 82' ' ' TYR . 34.4 m -79.7 -49.32 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.647 0.26 . . . . 0.0 111.198 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.53 ' N ' HG23 ' A' ' 81' ' ' VAL . 32.6 t80 54.17 -81.73 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.415 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 81' ' ' VAL . 58.6 m-85 -61.49 -74.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.826 0.346 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -155.86 -46.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -60.4 174.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.29 108.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -83.22 149.53 58.79 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.73 128.97 11.3 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.573 2.182 . . . . 0.0 112.314 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -146.81 80.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -108.72 87.81 4.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.36 171.52 17.51 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.51 2.14 . . . . 0.0 112.344 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.6 p -111.54 111.79 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.89 106.59 14.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.11 -177.31 1.3 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.478 2.119 . . . . 0.0 112.224 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 13' ' ' VAL . 12.8 p -76.03 114.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.83 130.29 6.24 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.576 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -68.73 -53.69 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -83.46 103.06 12.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.59 119.46 32.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.83 174.57 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.696 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.68 118.41 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.513 HD13 HD22 ' A' ' 55' ' ' LEU . 3.9 mp -75.78 109.92 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.93 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -78.17 133.74 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 54.7 t-80 -165.51 109.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 30.05 79.85 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.79 10.89 40.74 Favored Glycine 0 CA--C 1.515 0.094 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.601 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -122.97 133.36 54.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.322 0.561 . . . . 0.0 111.871 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.67 71.99 1.0 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.282 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 9.6 m-85 -60.27 160.26 8.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.024 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.644 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.5 mm -129.87 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 114.1 3.49 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 C-N-CA 122.422 2.081 . . . . 0.0 112.434 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.1 166.18 34.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.823 HD13 ' HG2' ' A' ' 51' ' ' PRO . 70.1 mt -111.33 158.55 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 67.2 m-85 -135.38 111.99 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 53.4 m170 -83.56 -13.99 53.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -106.3 166.19 11.65 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 27.7 Cg_exo -62.25 103.25 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.778 2.319 . . . . 0.0 112.713 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 9.2 m -116.35 140.79 48.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.871 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -99.74 143.65 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 111.639 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 138.79 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -59.36 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.336 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.6 p -80.33 -166.15 1.0 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.854 0.359 . . . . 0.0 111.055 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtt -102.25 -23.93 13.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 150.84 7.02 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.41 165.91 28.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.525 2.15 . . . . 0.0 112.525 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 63' ' ' LYS . 35.6 tp -137.68 101.89 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 50.4 p-90 169.58 -178.28 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 111.059 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.69 151.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.589 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.04 -47.41 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -72.5 -71.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 25.6 mmtt -121.99 94.84 47.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.823 ' HG2' HD13 ' A' ' 31' ' ' LEU . 28.7 Cg_endo -63.18 126.74 18.5 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.422 2.081 . . . . 0.0 112.105 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.58 154.36 49.82 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.471 2.114 . . . . 0.0 112.281 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.46 91.78 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.373 2.049 . . . . 0.0 112.17 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -90.8 146.8 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.644 HD21 ' HD2' ' A' ' 66' ' ' LYS . 30.0 mt -108.48 115.32 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.0 134.83 43.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.983 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.402 ' HB2' HG13 ' A' ' 62' ' ' ILE . 36.8 t -74.61 137.0 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.721 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.644 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.05 32.64 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -138.53 -78.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 p -84.68 -10.26 57.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.357 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 71.89 93.26 0.08 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.943 0.401 . . . . 0.0 111.036 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.1 pt -155.32 132.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.5 ' HB2' HD23 ' A' ' 45' ' ' LEU . 1.5 mptt -100.25 146.74 26.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.926 0.393 . . . . 0.0 111.317 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 55.7 m -158.11 116.33 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.636 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.784 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.17 132.85 0.71 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.942 0.401 . . . . 0.0 111.786 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.644 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.7 -30.58 22.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.555 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -49.24 -46.64 46.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.742 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.828 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -52.3 -49.59 63.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.995 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.508 ' HE2' ' HB2' ' A' ' 69' ' ' MET . 30.7 tpp -63.65 -48.73 76.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.17 -31.02 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -89.34 -16.55 30.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 48.34 3.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.947 0.403 . . . . 0.0 110.802 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.53 142.99 56.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.35 43.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' HB1' ' A' ' 40' ' ' ALA . 8.6 pt -117.22 -37.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.828 HD11 ' HB3' ' A' ' 68' ' ' HIS . 28.7 mt -63.23 126.51 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.694 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -105.99 164.36 15.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.694 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 28.1 Cg_endo -63.55 159.38 40.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.209 . . . . 0.0 112.405 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 6.6 t -61.02 146.46 47.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.66 -47.39 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.456 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 35.8 m -63.86 -35.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.747 0.308 . . . . 0.0 111.326 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -62.66 -31.09 71.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -93.25 -71.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m 60.58 29.54 19.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt 58.17 171.08 0.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm 59.59 101.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -81.41 139.93 48.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.72 -177.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.481 2.12 . . . . 0.0 112.262 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.42 38.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.98 84.91 1.42 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.771 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.99 -176.42 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.622 2.214 . . . . 0.0 112.357 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG23 ' HD3' ' A' ' 16' ' ' LYS . 11.2 p -108.84 156.29 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' N ' HG22 ' A' ' 10' ' ' VAL . 5.6 pt-20 -96.34 97.68 3.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.1 161.53 26.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.415 2.077 . . . . 0.0 112.361 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' HA ' HG21 ' A' ' 28' ' ' ILE . 2.2 t 55.43 38.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.303 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.67 -125.95 2.54 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.46 -52.04 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.323 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HD3' HG23 ' A' ' 10' ' ' VAL . 15.5 mtpt -79.28 -165.26 0.74 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 m 64.87 139.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.76 174.46 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.68 118.27 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.87 110.99 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.26 132.8 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.2 t-80 -165.01 111.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt 30.09 79.9 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.92 12.15 34.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.641 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.8 133.69 54.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.256 0.528 . . . . 0.0 111.81 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -122.03 72.65 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.463 179.812 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.5 m-85 -61.52 160.27 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.484 HG21 ' HA ' ' A' ' 13' ' ' VAL . 3.2 mm -128.55 131.68 23.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.69 113.67 3.26 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.382 2.055 . . . . 0.0 112.195 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -156.89 165.87 34.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 51.9 mt -111.21 152.2 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 2.3 m-85 -128.12 108.79 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -10.02 59.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -108.07 166.74 10.39 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.702 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.448 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 26.4 Cg_exo -62.7 102.28 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.574 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -115.09 130.33 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.226 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -93.63 122.89 36.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.113 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 153.04 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.482 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -30.75 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.247 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.725 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -64.94 -91.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.673 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.8 -169.56 1.81 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.979 0.419 . . . . 0.0 111.271 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -97.45 -25.86 15.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 151.02 4.77 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 57.0 Cg_endo -71.18 156.63 59.08 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.564 2.176 . . . . 0.0 112.691 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 54' ' ' ALA . 1.0 OUTLIER -125.91 100.6 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.634 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.448 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 58.1 p-90 169.41 -179.65 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.31 126.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -79.24 -46.53 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.56 -68.59 0.42 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -126.22 93.53 43.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.054 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.464 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.8 Cg_endo -65.17 121.41 8.86 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.441 2.094 . . . . 0.0 112.057 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 157.59 57.69 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.479 2.119 . . . . 0.0 112.186 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HA ' HD23 ' A' ' 31' ' ' LEU . 33.4 Cg_endo -64.37 93.17 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.545 2.163 . . . . 0.0 112.157 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.695 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.94 152.65 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 21.0 mt -114.04 116.88 29.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.336 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 34.7 tt0 -103.67 138.97 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' CB ' HG13 ' A' ' 62' ' ' ILE . 34.7 t -77.69 135.25 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.427 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.43 32.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.33 -79.22 0.35 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 p -83.38 -8.85 59.34 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.564 0.221 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.58 92.44 0.08 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 pt -153.42 132.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' HG2' HG21 ' A' ' 36' ' ' THR . 0.1 OUTLIER -99.53 148.03 24.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.557 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.4 m -158.36 118.69 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.697 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.854 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -41.89 135.18 2.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.918 0.389 . . . . 0.0 111.122 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.6 -30.67 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.001 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.64 -45.77 58.02 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.771 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.875 ' HB3' HD11 ' A' ' 76' ' ' ILE . 13.6 m-70 -54.11 -47.22 72.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.072 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 25.8 tpp -66.25 -50.12 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -30.66 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.98 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -86.89 -19.29 29.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 49.87 3.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.84 147.33 45.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.39 39.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.224 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.725 HG13 ' HB1' ' A' ' 40' ' ' ALA . 5.4 pt -112.44 -28.06 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.18 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.875 HD11 ' HB3' ' A' ' 68' ' ' HIS . 27.9 mt -74.06 128.13 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.679 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -105.58 163.35 17.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.679 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 32.4 Cg_endo -65.65 164.84 25.04 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.672 2.248 . . . . 0.0 112.48 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -69.49 146.25 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -97.55 -43.12 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.536 HG22 ' SG ' ' A' ' 79' ' ' CYS . 28.6 m -59.86 -20.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.503 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.64 -37.62 51.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.253 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -85.74 -56.25 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.808 0.337 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t 60.36 110.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.58 114.7 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.39 155.84 39.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.95 148.03 97.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.44 169.59 20.85 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.666 2.244 . . . . 0.0 112.3 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -163.12 90.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.809 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -127.31 72.93 77.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.05 -172.56 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.516 2.144 . . . . 0.0 112.379 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 10' ' ' VAL . 3.1 p 42.53 86.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.72 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -79.89 118.61 73.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' HG3' ' HA ' ' A' ' 30' ' ' THR . 67.0 Cg_endo -73.08 174.41 12.06 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.541 2.16 . . . . 0.0 112.425 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 t 50.37 27.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.311 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.95 -139.44 6.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.545 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -74.45 -39.03 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.022 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -119.12 132.75 56.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.24 112.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.56 174.46 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.7 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.35 116.47 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.411 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.5 HD13 HD22 ' A' ' 55' ' ' LEU . 4.2 mp -75.68 109.44 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.81 132.92 37.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 52.0 t-80 -165.91 110.04 0.82 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.112 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt 30.58 80.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.73 12.11 39.72 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.618 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.88 133.06 53.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.4 0.6 . . . . 0.0 111.89 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.67 71.61 1.04 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.252 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 12.1 m-85 -60.72 160.3 9.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.886 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.496 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.4 mm -126.45 131.07 23.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.217 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 49.9 Cg_endo -69.84 110.48 2.58 Favored 'Trans proline' 0 CA--C 1.517 -0.336 0 C-N-CA 122.523 2.149 . . . . 0.0 112.133 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.488 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 7.7 t -153.89 171.66 18.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.782 HD13 ' HG2' ' A' ' 51' ' ' PRO . 56.9 mt -114.21 156.76 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HE2' ' A' ' 63' ' ' LYS . 1.6 m-85 -134.13 107.29 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -80.05 -18.51 49.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -99.49 169.89 7.53 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.752 0.311 . . . . 0.0 110.764 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.56 108.41 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.728 2.286 . . . . 0.0 112.546 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 6.0 m -124.25 139.87 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.066 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -97.41 143.06 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -91.33 149.5 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -87.31 -40.72 14.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -54.7 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.41 -166.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.6 mmt -102.6 -23.95 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -53.79 156.76 4.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 175.24 9.82 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.636 2.224 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 63' ' ' LYS . 51.0 tp -146.87 101.91 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.423 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 41.7 p-90 172.03 -178.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.37 145.54 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -41.96 8.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.086 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -82.13 -77.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -113.03 95.59 35.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.059 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.782 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.8 Cg_endo -66.35 123.17 10.81 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.473 2.115 . . . . 0.0 112.144 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 154.69 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.306 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.03 93.29 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.526 2.151 . . . . 0.0 112.149 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.91 146.51 23.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 30.3 mt -107.37 111.13 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -99.87 131.21 45.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.117 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.434 ' CB ' HG13 ' A' ' 62' ' ' ILE . 40.2 t -71.62 137.73 48.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.496 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.23 31.7 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.795 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -75.79 0.43 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.431 ' HB3' HG13 ' A' ' 81' ' ' VAL . 20.5 p -86.94 -10.65 52.74 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.416 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.58 89.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -151.78 133.04 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.516 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' HB2' HD23 ' A' ' 45' ' ' LEU . 5.0 mptt -101.96 146.08 28.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.587 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' HIS . 25.3 p -158.54 111.23 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.486 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.751 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -30.09 135.3 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.081 0.467 . . . . 0.0 112.238 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.56 41.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -45.52 46.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.795 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.1 m-70 -53.26 -49.96 65.81 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.018 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 42.1 tpp -62.61 -51.37 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.3 -28.96 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -92.46 -18.16 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.93 46.53 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.92 0.391 . . . . 0.0 110.741 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.11 123.1 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.6 -22.79 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.972 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.687 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.9 pt -47.96 -28.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.494 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.795 HD11 ' HB3' ' A' ' 68' ' ' HIS . 76.0 mt -75.27 130.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.731 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -111.78 165.31 13.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.013 0.435 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.731 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 32.7 Cg_endo -65.79 164.83 25.41 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.606 2.204 . . . . 0.0 112.52 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.596 ' SG ' HG22 ' A' ' 81' ' ' VAL . 5.8 t -65.02 146.28 55.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -40.84 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.683 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.596 HG22 ' SG ' ' A' ' 79' ' ' CYS . 35.0 m -61.73 -24.14 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -56.11 -30.99 62.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.024 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -99.07 -50.94 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.744 0.307 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -87.06 -69.8 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.05 128.05 33.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -111.69 170.93 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.99 138.84 97.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.27 125.58 19.34 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.499 2.133 . . . . 0.0 112.228 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -144.84 88.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 59.31 80.25 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.62 -169.33 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.567 2.178 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 10' ' ' VAL . 3.5 p 42.46 77.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.763 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.34 117.56 68.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.664 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.76 165.27 21.42 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.338 2.025 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.2 m -69.36 92.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.71 8.37 77.85 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.765 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.5 -32.38 58.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.761 0.315 . . . . 0.0 110.809 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -170.82 56.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.12 129.68 34.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -64.23 174.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -141.49 117.95 10.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.957 0.408 . . . . 0.0 111.139 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.649 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.3 mp -75.88 110.83 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.14 138.77 38.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -157.91 -174.18 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -50.89 91.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.15 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.59 13.81 25.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.759 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.82 138.58 54.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.283 0.564 . . . . 0.0 112.251 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -126.33 76.7 1.63 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.797 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.536 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.9 m-85 -66.67 160.4 25.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.408 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.676 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.27 132.88 24.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.153 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.25 114.92 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.598 2.198 . . . . 0.0 112.678 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -154.57 163.66 39.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.449 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.5 mt -111.14 156.98 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.778 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 57.0 m-85 -136.14 117.02 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -91.02 -6.85 53.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.347 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 1.4 m-85 -110.9 171.39 4.38 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.709 0.29 . . . . 0.0 110.641 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 35.7 Cg_exo -61.58 96.84 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.854 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.689 HG23 ' HD3' ' A' ' 63' ' ' LYS . 13.3 m -110.15 128.02 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.924 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -94.02 116.03 28.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.396 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.77 164.75 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.973 179.36 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 -31.86 9.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.64 0.257 . . . . 0.0 111.515 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.804 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -63.13 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.639 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -81.29 -170.84 2.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.95 0.405 . . . . 0.0 111.171 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 mtt -112.08 43.61 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' CG ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -120.32 156.05 55.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 179.677 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 55.9 Cg_endo -70.16 141.12 42.81 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.502 2.135 . . . . 0.0 112.595 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.5 tt -118.74 108.19 14.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.46 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 38.6 p-90 172.09 175.87 0.09 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.911 0.386 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.4 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 178.98 121.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.65 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 49' ' ' PHE . 25.3 ptp -74.75 -44.6 48.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 48' ' ' MET . 98.0 m-85 -69.29 -69.72 0.32 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.132 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 27.6 mmtt -127.11 93.71 40.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.449 ' HG2' HD13 ' A' ' 31' ' ' LEU . 27.8 Cg_endo -62.82 120.09 7.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.492 2.128 . . . . 0.0 112.088 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 41.9 Cg_endo -67.66 154.78 72.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.579 2.186 . . . . 0.0 112.257 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.25 94.12 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.473 2.115 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.716 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.73 157.75 17.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD21 ' HD2' ' A' ' 66' ' ' LYS . 39.5 mt -118.57 115.95 25.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.1 tt0 -102.19 133.86 46.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.173 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.422 ' CB ' HG13 ' A' ' 62' ' ' ILE . 40.1 t -74.6 136.01 42.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.612 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.676 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -95.13 31.12 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.684 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.426 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.02 -78.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.6 p -83.82 -7.92 59.34 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.515 0.198 . . . . 0.0 111.343 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 13.1 m-70 67.72 91.01 0.09 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.966 0.412 . . . . 0.0 111.2 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.422 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -151.95 134.85 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.433 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.689 ' HD3' HG23 ' A' ' 36' ' ' THR . 3.2 mptt -102.79 145.57 29.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.67 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.2 m -155.91 125.54 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.136 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.826 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.81 135.17 7.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 111.19 -179.621 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.574 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.57 -30.86 22.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -50.82 -45.7 59.6 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.791 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.826 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.7 m-70 -53.86 -48.42 70.02 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.023 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.649 ' HG2' HG21 ' A' ' 20' ' ' ILE . 50.4 tpp -68.05 -47.9 67.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.992 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.51 -30.95 68.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.91 -17.61 29.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.6 38.22 4.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.42 141.63 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.9 42.7 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.804 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.1 pt -117.3 -19.73 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.452 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 68' ' ' HIS . 25.3 mt -77.7 138.63 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.053 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -114.08 163.56 18.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.5 Cg_endo -64.62 154.05 74.21 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.645 2.23 . . . . 0.0 112.162 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -55.24 146.39 19.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.709 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -93.07 -30.46 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.013 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 33.7 m -87.08 12.8 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 83' ' ' TYR . 9.6 t80 -92.61 47.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -178.28 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.728 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -77.92 -42.5 32.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.31 110.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -150.08 145.4 26.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.17 150.61 74.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.54 163.26 29.72 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.649 2.233 . . . . 0.0 112.399 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.97 90.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -113.02 75.14 1.93 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.9 -168.12 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.61 2.207 . . . . 0.0 112.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.34 143.36 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.28 108.39 41.39 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.81 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.68 ' HG3' ' HA ' ' A' ' 30' ' ' THR . 57.0 Cg_endo -70.36 -174.6 1.06 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.786 2.324 . . . . 0.0 112.162 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 t 48.22 28.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.407 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.38 -160.53 10.25 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.553 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -76.45 -48.76 18.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.991 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -102.41 126.79 49.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.45 143.68 28.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.762 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -81.85 174.13 11.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.848 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -147.69 115.97 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.556 HG21 ' HE3' ' A' ' 69' ' ' MET . 3.6 mp -75.62 108.84 8.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.35 141.41 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.31 -172.41 3.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.666 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.1 ptpp? -53.71 89.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.181 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.19 12.8 39.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.594 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -124.12 138.82 54.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.139 0.495 . . . . 0.0 112.197 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.6 76.72 1.65 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.98 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.8 m-85 -66.87 160.51 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.281 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.609 HD11 ' HD3' ' A' ' 58' ' ' ARG . 3.9 mm -126.93 131.81 24.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.777 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.04 115.59 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.538 2.159 . . . . 0.0 112.487 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.68 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 9.2 t -156.89 168.36 27.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.6 mt -111.21 158.24 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.845 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 51.6 m-85 -135.98 115.01 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -20.05 28.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -102.73 161.05 24.38 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 13.2 Cg_endo -56.51 113.76 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.649 2.233 . . . . 0.0 112.423 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.686 HG23 ' CD ' ' A' ' 63' ' ' LYS . 1.2 m -124.83 126.34 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.156 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -84.25 121.21 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 150.17 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.212 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.37 -27.98 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.46 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 68' ' ' HIS . . . -70.13 -93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.52 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.0 p -78.5 171.6 14.87 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-O 120.899 0.381 . . . . 0.0 111.106 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mtt -79.78 -23.6 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 147.28 27.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 154.41 62.92 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.552 2.168 . . . . 0.0 112.596 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.656 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.9 tt -122.68 102.89 8.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 1.2 p-90 175.79 -177.28 0.12 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.88 132.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.511 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 mtm -85.2 -43.26 13.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -74.6 -75.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 2.6 mmtt -119.35 95.37 49.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.045 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HG2' HD13 ' A' ' 31' ' ' LEU . 28.3 Cg_endo -63.3 121.43 9.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.432 2.088 . . . . 0.0 112.022 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.83 158.05 59.01 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.29 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.28 94.0 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.172 . . . . 0.0 112.112 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.656 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.68 160.65 15.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 31.7 mt -122.9 116.14 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 14.6 tt0 -102.57 135.01 44.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.418 ' HB2' HG13 ' A' ' 62' ' ' ILE . 43.1 t -75.65 135.0 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.543 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 28' ' ' ILE . 2.2 ptt85 -94.8 30.52 2.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' NH2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -135.47 -75.99 0.45 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.6 p -88.55 -4.87 58.5 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.505 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 5.2 m-70 66.17 91.79 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.383 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -152.0 134.6 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.297 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.686 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -101.54 147.26 26.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 0.0 111.741 -179.248 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.3 m -158.31 123.69 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.62 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.873 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.02 137.36 7.6 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.941 -179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HE3' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.7 -30.92 24.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.43 -45.13 62.5 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.644 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.873 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 15.1 m-70 -56.19 -43.28 78.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.897 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.556 ' HE3' HG21 ' A' ' 20' ' ' ILE . 37.5 tpp -70.55 -53.15 17.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -56.02 -30.0 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.038 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -89.74 -20.36 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.78 64.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 0.0 110.673 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -92.38 127.47 37.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -22.27 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.519 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 9.6 pt -48.97 -27.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.633 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 68' ' ' HIS . 39.5 mt -74.89 139.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -119.46 164.7 20.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 35.0 Cg_endo -66.56 157.22 61.78 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.56 2.174 . . . . 0.0 112.388 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.6 t -59.17 146.36 39.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -91.54 -46.89 7.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.722 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 32.7 m -64.0 -31.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 111.482 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.439 ' CE1' ' NH2' ' A' ' 59' ' ' ARG . 2.0 t80 -60.11 -29.34 68.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.013 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -106.1 -42.32 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.763 0.316 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 m 63.1 -79.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? 60.92 34.45 19.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -134.63 143.47 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.03 166.74 30.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.54 -172.77 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.541 2.161 . . . . 0.0 112.272 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -162.43 96.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -113.65 83.64 7.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.85 -174.81 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.564 2.176 . . . . 0.0 112.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 10' ' ' VAL . 12.0 p -116.68 110.93 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.51 115.01 62.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.85 167.94 16.43 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.342 2.028 . . . . 0.0 112.281 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 13' ' ' VAL . 12.5 p -65.5 118.87 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.28 -28.21 4.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -66.68 -43.36 84.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.1 80.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -111.0 121.7 46.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.39 174.4 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -139.75 115.94 10.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 111.048 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.44 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.3 mp -75.97 112.72 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -81.9 132.56 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.427 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 14.2 t-160 -164.59 109.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HG2' ' CD2' ' A' ' 22' ' ' HIS . 2.5 ptpt 30.43 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.64 11.48 35.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.701 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.83 131.99 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.327 0.564 . . . . 0.0 111.769 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.83 69.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.161 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 12.3 m-85 -59.12 160.23 6.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.978 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.8 mm -128.8 131.53 23.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.51 115.73 4.2 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.369 2.046 . . . . 0.0 112.483 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 t -156.51 164.68 37.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 61.1 mt -111.25 153.1 26.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.704 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.8 m-85 -128.93 112.18 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -82.02 -15.63 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.6 m-85 -106.46 170.82 5.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.778 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 29.6 Cg_exo -61.58 109.79 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.691 2.261 . . . . 0.0 112.526 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.783 HG23 ' CD ' ' A' ' 63' ' ' LYS . 2.7 m -120.26 122.76 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.033 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.29 113.62 22.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 151.42 43.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -29.0 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.61 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' A' ' 75' ' ' ILE . . . -67.81 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.503 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 p -80.39 -175.09 4.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 mmt -93.28 -23.23 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 147.97 10.55 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.97 149.16 58.72 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.58 2.187 . . . . 0.0 112.359 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.3 tt -124.5 105.38 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.797 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.442 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 53.5 p-90 168.97 -178.3 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.078 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.86 161.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.639 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 ptp -111.39 -51.23 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.76 -56.79 4.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -130.7 93.45 31.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.197 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.2 Cg_endo -67.02 125.27 13.35 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.546 2.164 . . . . 0.0 112.205 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.85 155.9 61.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.582 2.188 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' HD23 ' A' ' 31' ' ' LEU . 38.0 Cg_endo -66.52 95.22 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.143 . . . . 0.0 112.248 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -92.33 161.59 14.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 35.2 mt -122.37 118.3 28.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 tt0 -105.23 135.72 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.357 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.587 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 42.4 t -76.01 135.51 39.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.452 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' HG3' ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -96.53 29.35 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.587 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -135.58 -73.3 0.46 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' HG23 ' A' ' 62' ' ' ILE . 17.2 p -89.87 -5.4 56.86 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.496 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.81 88.84 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.981 0.42 . . . . 0.0 111.497 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.522 HG13 ' HB2' ' A' ' 57' ' ' CYS . 1.6 pt -149.08 137.99 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.783 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -105.22 147.28 28.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.128 0.49 . . . . 0.0 111.63 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.4 m -158.13 124.83 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.448 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.854 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.16 137.63 7.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.802 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.462 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -51.49 -30.88 21.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.009 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -45.94 64.57 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.745 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.854 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 14.2 m-70 -55.16 -43.13 73.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.868 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.44 ' HG2' HG21 ' A' ' 20' ' ' ILE . 17.3 tpp -70.65 -52.88 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.15 -32.99 64.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -85.77 -21.46 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? 64.11 40.53 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.13 145.98 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -87.64 46.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.2 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.578 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 6.3 pt -118.78 -30.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.297 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.824 HD11 ' HB3' ' A' ' 68' ' ' HIS . 17.9 mt -72.71 141.39 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -120.74 163.96 26.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.4 Cg_endo -64.43 156.49 60.05 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.597 2.198 . . . . 0.0 112.421 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.727 ' SG ' HG22 ' A' ' 81' ' ' VAL . 4.6 t -62.3 146.42 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -32.07 12.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.487 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.727 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.9 m -68.29 -11.32 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.838 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.54 3.48 28.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.522 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -95.93 -40.83 9.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.761 0.315 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.747 0.308 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.75 96.48 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -136.37 151.66 49.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.87 165.27 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.47 155.63 74.37 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.795 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.89 118.09 5.36 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.516 2.144 . . . . 0.0 112.228 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.28 108.74 2.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.79 89.54 3.61 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.15 -172.9 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.479 2.119 . . . . 0.0 112.161 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.46 127.72 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -80.13 114.17 44.59 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.98 172.56 9.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.332 2.021 . . . . 0.0 112.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.2 m -92.14 135.76 26.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.86 106.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -66.13 -43.22 87.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.948 0.404 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -126.91 109.75 12.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.764 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.94 141.04 48.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -71.11 174.69 5.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.742 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.89 118.2 21.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.566 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.83 111.19 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.991 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -81.44 135.57 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.3 t-80 -166.03 108.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.225 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 29.46 79.76 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 65.79 10.51 50.66 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.587 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.69 135.04 54.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.375 0.588 . . . . 0.0 112.054 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -124.13 71.06 1.11 Allowed 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 7.3 m-85 -62.59 160.29 14.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -128.78 133.17 24.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.049 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.5 Cg_endo -69.61 113.96 3.52 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.428 2.086 . . . . 0.0 112.382 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.407 HG23 ' CE2' ' A' ' 32' ' ' TYR . 10.1 t -154.72 165.94 34.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.945 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD13 ' HG2' ' A' ' 51' ' ' PRO . 70.4 mt -111.29 156.34 21.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.644 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 63.9 m-85 -135.41 106.46 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.191 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.424 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 2.2 m80 -81.75 -9.09 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 3.6 m-85 -107.08 168.38 8.11 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.708 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.14 102.72 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.759 2.306 . . . . 0.0 112.733 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.9 m -119.58 142.64 48.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -102.36 147.57 26.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 111.445 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -97.1 143.4 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.186 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.85 -36.46 25.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.38 -87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.298 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.94 -168.5 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -25.6 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 155.86 7.0 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.79 -167.89 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.497 2.131 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.498 HD23 ' HB2' ' A' ' 63' ' ' LYS . 31.7 tp -159.26 103.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 34' ' ' PHE . 56.0 p-90 170.8 179.33 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 130.36 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.3 mtm -83.79 -42.97 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.21 -74.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 16.6 mmtt -122.39 94.66 47.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HG2' HD13 ' A' ' 31' ' ' LEU . 27.8 Cg_endo -62.55 120.5 8.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.9 154.62 70.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.578 2.185 . . . . 0.0 112.192 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.91 95.33 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.555 2.17 . . . . 0.0 112.167 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.74 158.96 16.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD22 HD13 ' A' ' 20' ' ' ILE . 42.8 mt -117.77 110.18 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -97.99 130.22 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.434 ' CB ' HG13 ' A' ' 62' ' ' ILE . 44.7 t -73.89 136.4 43.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.567 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -95.52 30.42 2.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.43 -75.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.001 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 p -86.98 -7.92 57.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.413 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 68.52 88.54 0.11 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -150.88 133.57 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 179.504 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HB2' HD23 ' A' ' 45' ' ' LEU . 1.2 mptt -100.76 146.14 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.821 0.343 . . . . 0.0 111.259 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -157.51 118.18 3.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.78 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.73 132.93 0.86 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.927 0.394 . . . . 0.0 111.721 -179.712 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -51.7 -30.66 22.98 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.488 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.2 -46.29 45.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.688 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.78 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.4 m-70 -52.87 -47.73 67.62 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.898 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.7 tpp -67.02 -53.74 28.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -25.77 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -97.6 -14.9 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.422 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.07 74.13 0.46 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -102.33 125.17 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -57.56 -22.79 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.024 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.539 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.8 pt -49.46 -30.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.465 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.778 HD11 ' HB3' ' A' ' 68' ' ' HIS . 62.3 mt -72.34 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -116.25 163.81 20.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.261 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.691 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.1 Cg_endo -63.87 162.38 29.03 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.526 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.4 t -64.08 146.51 54.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -91.02 -39.24 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.554 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 ' SG ' ' A' ' 79' ' ' CYS . 31.9 m -74.52 -5.69 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -52.35 -29.56 24.42 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.708 0.29 . . . . 0.0 111.073 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -103.99 -35.47 8.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.896 0.379 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -115.0 137.63 51.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.94 98.79 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -164.08 106.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -81.71 148.97 63.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -78.5 137.61 14.82 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.659 2.24 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -144.43 100.82 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 59.14 89.49 0.11 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.22 179.99 2.58 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.512 2.142 . . . . 0.0 112.284 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.3 p -104.8 135.84 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.167 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -96.01 107.27 33.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.34 -178.96 1.63 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.376 2.051 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 m -76.15 125.24 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.21 123.56 5.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.88 -51.9 35.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.63 91.67 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -99.79 135.44 41.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.412 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -59.22 174.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -138.01 118.42 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.092 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.81 109.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.588 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -77.94 140.65 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -159.51 -173.78 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -52.45 90.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.41 14.22 33.37 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.732 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -125.29 138.53 54.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.187 0.517 . . . . 0.0 112.254 -179.611 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.27 79.2 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.87 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.516 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.1 m-85 -70.39 160.24 32.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.396 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.7 mm -128.83 133.03 24.75 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.062 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 43.7 Cg_endo -68.45 113.77 3.24 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.55 2.167 . . . . 0.0 112.623 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -153.62 165.8 34.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 51' ' ' PRO . 83.8 mt -111.28 157.23 20.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.707 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.0 m-85 -136.94 118.14 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -87.97 -19.68 26.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -98.46 169.43 8.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.21 102.82 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.735 2.29 . . . . 0.0 112.293 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.667 HG23 ' CD ' ' A' ' 63' ' ' LYS . 1.3 m -112.13 123.28 49.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -85.45 114.91 22.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 151.1 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.249 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -30.53 26.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -66.33 -93.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.564 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.2 p -77.8 -179.15 5.8 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 111.101 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -25.99 21.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 145.87 18.53 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 148.35 61.86 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.579 2.186 . . . . 0.0 112.486 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.9 tt -115.74 104.24 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.723 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.437 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 174.64 179.21 0.12 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.909 0.385 . . . . 0.0 111.051 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.421 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER 178.04 127.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.652 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.0 mtm -80.58 -44.76 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.048 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -70.75 -73.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.36 94.65 47.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.0 Cg_endo -63.18 118.58 5.48 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.423 2.082 . . . . 0.0 112.109 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 51' ' ' PRO . 39.2 Cg_endo -66.69 153.9 76.35 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.558 2.172 . . . . 0.0 112.138 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.59 94.71 0.15 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.503 2.136 . . . . 0.0 112.066 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.59 164.13 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.531 HD21 ' HD2' ' A' ' 66' ' ' LYS . 36.3 mt -124.48 114.75 19.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -100.08 134.63 42.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.8 t -76.52 134.98 39.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.563 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -95.76 30.78 2.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -135.68 -77.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.7 p -86.28 -9.73 55.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.396 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 71.24 92.31 0.09 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 25' ' ' HIS . 1.7 pt -154.47 136.12 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.543 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.667 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -101.95 147.98 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.112 0.482 . . . . 0.0 111.634 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -158.31 123.05 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.48 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.863 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -46.3 136.76 6.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.968 0.413 . . . . 0.0 111.002 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HD2' HD21 ' A' ' 55' ' ' LEU . 2.9 tttm -51.69 -30.73 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.65 -46.51 58.44 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.644 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.863 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 15.5 m-70 -55.65 -42.77 75.5 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.853 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.9 tpp -70.71 -53.73 14.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.06 -30.57 62.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -90.92 -20.35 22.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.268 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 62.62 72.09 0.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.936 0.398 . . . . 0.0 110.632 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.27 126.07 43.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.49 -22.73 34.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.999 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' HB1' ' A' ' 40' ' ' ALA . 10.0 pt -49.86 -27.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.537 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 68' ' ' HIS . 41.0 mt -75.35 133.4 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.93 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -112.29 164.12 16.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.985 0.421 . . . . 0.0 111.174 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.711 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 35.7 Cg_endo -66.6 156.51 65.27 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.57 2.18 . . . . 0.0 112.383 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.3 t -57.83 146.28 32.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -89.89 -42.3 11.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.869 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.4 m -67.31 -15.19 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -59.14 -30.83 68.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.99 -46.02 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.852 0.358 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 88.15 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -102.7 136.57 42.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 106.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.55 123.77 85.49 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.23 175.12 11.68 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.412 2.075 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 62.61 120.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.2 t80 59.26 87.86 0.13 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 10' ' ' VAL . 60.8 Cg_endo -72.75 171.77 16.65 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.526 2.15 . . . . 0.0 112.338 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.8 p 29.18 91.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.294 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -90.07 107.22 17.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.36 -173.24 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.413 2.075 . . . . 0.0 112.221 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 m -104.5 134.26 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.94 129.7 4.0 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.66 -49.54 77.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.794 0.33 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.96 130.19 49.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.754 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -127.96 124.68 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.36 174.54 8.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.696 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -131.54 118.58 20.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.933 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.91 109.45 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.045 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.08 134.35 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 6.5 t60 -166.34 110.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.271 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 30.07 80.1 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.22 12.14 43.02 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.672 -0.775 . . . . 0.0 113.51 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.33 133.8 53.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.452 0.626 . . . . 0.0 111.99 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.08 72.64 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.239 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.5 m-85 -63.18 160.19 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.968 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.473 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.5 mm -129.1 132.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.238 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.52 112.62 2.89 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.509 2.14 . . . . 0.0 112.41 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -153.39 166.15 33.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.616 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.9 mt -111.22 156.36 21.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.456 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.6 m-85 -136.68 112.0 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 111.026 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -19.14 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.06 169.27 9.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.807 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.92 99.18 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.787 2.324 . . . . 0.0 112.591 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.0 m -114.14 138.09 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -99.3 139.6 34.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.387 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -86.83 141.17 29.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.363 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.53 -38.59 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.588 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -55.58 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.377 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 p -84.79 -168.03 2.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.0 mmt -98.56 -23.41 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 153.01 11.22 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.21 178.16 5.13 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.665 2.244 . . . . 0.0 112.4 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 63' ' ' LYS . 42.6 tp -148.44 104.73 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.445 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 51.3 p-90 169.27 -178.16 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.84 134.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.1 mtm -91.6 -31.47 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -85.5 -69.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -125.76 93.84 43.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.616 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.3 Cg_endo -63.3 120.98 8.63 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.516 2.144 . . . . 0.0 111.994 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.22 155.06 61.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.524 2.149 . . . . 0.0 112.28 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.03 94.16 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.473 2.115 . . . . 0.0 112.059 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.63 158.8 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 37.4 mt -119.08 109.79 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -98.19 131.17 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.286 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.431 ' CB ' HG13 ' A' ' 62' ' ' ILE . 43.6 t -74.27 136.0 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -96.2 30.44 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -134.19 -74.48 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.021 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -87.73 -14.1 40.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 76.07 89.41 0.08 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.372 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.431 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -153.19 134.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HB2' HD23 ' A' ' 45' ' ' LEU . 2.2 mptt -102.38 146.41 28.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.946 0.403 . . . . 0.0 111.389 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' HIS . 6.1 p -158.68 113.97 2.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.756 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.742 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.54 134.78 0.09 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 112.085 -179.586 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -53.46 -30.66 41.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.537 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -44.93 43.16 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.546 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.835 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -53.97 -48.34 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.974 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.1 tpp -63.65 -51.17 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.994 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -29.28 60.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -94.06 -18.42 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.93 61.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.511 ' OE1' HD13 ' A' ' 75' ' ' ILE . 7.4 mt-10 -87.52 121.77 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.996 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.98 -23.32 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.588 HG13 ' HB1' ' A' ' 40' ' ' ALA . 15.4 pt -48.62 -28.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.391 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.835 HD11 ' HB3' ' A' ' 68' ' ' HIS . 61.2 mt -77.11 122.65 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -104.57 164.23 15.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 27.7 Cg_endo -63.68 161.82 30.62 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.568 2.179 . . . . 0.0 112.371 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.2 t -60.86 145.53 49.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -89.98 -37.84 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.343 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.564 HG22 ' SG ' ' A' ' 79' ' ' CYS . 28.0 m -73.81 -11.93 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.49 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -96.37 37.02 1.29 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.901 0.381 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -147.89 -47.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.03 162.11 36.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 60.13 101.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 86.34 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.36 157.82 72.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.27 171.15 18.23 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.573 2.182 . . . . 0.0 112.333 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -178.08 114.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -126.38 83.18 64.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.1 -179.75 3.76 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.558 2.172 . . . . 0.0 112.236 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.2 t -109.86 115.42 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.22 101.37 8.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.95 179.63 3.14 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.401 2.067 . . . . 0.0 112.219 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.2 m -59.28 100.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.02 -21.68 75.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.608 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.97 -39.31 71.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.049 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -154.38 115.51 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.12 112.4 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -77.22 174.47 10.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.783 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.22 117.54 17.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.493 HD13 HD22 ' A' ' 55' ' ' LEU . 3.6 mp -75.84 109.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.94 134.38 37.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.546 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 26.0 t-80 -165.81 109.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.251 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' HIS . 1.5 ptpt 29.28 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.87 12.34 35.07 Favored Glycine 0 C--N 1.328 0.109 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.508 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.59 135.57 53.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.374 0.587 . . . . 0.0 111.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.15 76.54 1.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.6 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 34.2 m-85 -65.61 160.48 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 4.2 mm -127.87 132.17 24.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.142 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.3 Cg_endo -69.54 115.53 4.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.487 2.125 . . . . 0.0 112.5 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -155.37 165.24 37.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.843 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.1 mt -111.32 158.49 18.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 69.9 m-85 -134.51 113.02 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -84.08 -15.25 48.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 5.8 m-85 -107.04 170.97 5.08 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.74 0.305 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 25.9 Cg_exo -62.9 104.1 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.669 2.246 . . . . 0.0 112.615 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.751 HG23 ' HD3' ' A' ' 63' ' ' LYS . 5.1 m -115.45 129.14 56.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.002 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -92.64 115.49 28.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.459 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 163.59 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.91 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.84 -34.48 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 111.347 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.688 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -63.3 -86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.512 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.8 p -80.22 -169.59 2.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.893 0.378 . . . . 0.0 111.178 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.3 mmt -99.33 -22.61 15.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.91 151.08 8.99 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.996 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.94 160.74 48.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.595 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 54' ' ' ALA . 4.2 tt -134.15 104.52 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 55.4 p-90 174.86 -178.39 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.41 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -179.12 148.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.594 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -96.82 -47.73 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.98 -75.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 25.8 mmtp -114.95 96.19 44.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.847 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.4 Cg_endo -64.53 123.44 11.74 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.475 2.117 . . . . 0.0 112.172 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 37.9 Cg_endo -66.59 153.76 76.83 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.48 2.12 . . . . 0.0 112.177 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.06 93.57 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.8 157.01 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.749 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 24.3 mt -120.92 121.46 38.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.977 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.9 tt0 -107.74 133.87 51.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.429 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.4 t -73.0 137.08 45.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.675 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.87 31.46 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.45 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -137.4 -75.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.791 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 21.0 p -87.85 -5.41 58.61 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.5 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 7.8 m-70 66.01 90.32 0.09 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.004 0.43 . . . . 0.0 111.029 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 25' ' ' HIS . 3.3 pt -148.92 131.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.535 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.751 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -98.0 146.86 25.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.357 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.9 m -158.15 123.21 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.837 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -48.14 136.16 12.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.892 0.377 . . . . 0.0 110.659 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.54 ' HD2' HD21 ' A' ' 55' ' ' LEU . 3.6 tttm -51.41 -30.65 20.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.9 -45.7 64.31 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.855 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.871 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -53.74 -50.34 66.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.142 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.6 tpp -62.53 -48.34 79.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -30.7 69.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -88.89 -21.5 23.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? 65.33 53.19 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.44 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.13 126.14 30.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.71 -23.08 39.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.688 HG13 ' HB1' ' A' ' 40' ' ' ALA . 10.1 pt -50.03 -27.28 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.505 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.871 HD11 ' HB3' ' A' ' 68' ' ' HIS . 53.5 mt -77.23 143.75 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.895 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -129.55 163.74 44.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.415 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.697 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 31.9 Cg_endo -65.14 166.46 18.82 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.777 2.318 . . . . 0.0 112.537 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.58 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -71.26 146.6 48.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -38.0 7.95 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.474 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.6 m -61.99 -29.42 46.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.716 0.293 . . . . 0.0 111.412 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CE1' ' CZ ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -69.16 -26.99 65.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.095 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -93.56 -55.58 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.802 0.334 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -79.39 145.31 33.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -138.84 129.46 26.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -171.76 147.16 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.68 126.73 92.98 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 78.5 Cg_endo -78.16 139.6 17.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.408 2.072 . . . . 0.0 112.02 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.508 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 1.3 mp0 65.93 133.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.35 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -96.4 88.47 0.51 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.985 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 7' ' ' GLU . 24.5 Cg_endo -61.58 -166.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.425 2.083 . . . . 0.0 112.314 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 10' ' ' VAL . 7.7 p -123.23 78.91 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.066 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.51 114.04 21.39 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.03 -168.8 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.409 2.073 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 17' ' ' SER . 9.1 m -82.23 109.67 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.45 -29.91 9.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.55 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -33.21 72.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -165.57 112.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.638 ' HB3' HG23 ' A' ' 13' ' ' VAL . 9.2 p -135.89 130.14 33.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -84.61 174.41 10.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -135.4 117.2 15.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.41 HD13 HD22 ' A' ' 55' ' ' LEU . 4.3 mp -75.85 110.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.8 t -77.78 137.72 38.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.498 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 5.1 t-160 -167.02 105.33 0.57 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.108 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt 30.05 79.5 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.99 6.78 47.09 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.651 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -121.22 132.42 54.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.304 0.552 . . . . 0.0 111.713 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' HB2' ' NE ' ' A' ' 59' ' ' ARG . 15.5 mp0 -121.65 69.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 13.2 m-85 -57.36 160.48 3.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.08 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.747 HD11 ' HD2' ' A' ' 58' ' ' ARG . 3.8 mm -130.19 133.02 24.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.297 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.49 112.8 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.492 2.128 . . . . 0.0 112.275 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -153.62 165.36 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.81 HD13 ' HG2' ' A' ' 51' ' ' PRO . 64.0 mt -111.24 158.23 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 38.7 m-85 -132.4 121.27 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.725 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -90.92 -17.82 25.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.9 m-85 -105.21 171.52 4.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.711 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 23.5 Cg_exo -64.54 102.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.712 2.275 . . . . 0.0 112.644 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.83 HG23 ' HD3' ' A' ' 63' ' ' LYS . 3.0 m -113.89 123.86 50.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.066 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -90.02 116.71 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.569 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.9 156.46 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.191 179.681 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -36.42 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.267 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -59.08 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.3 p -81.12 -163.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.0 mtm -104.29 -24.73 13.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 156.4 0.67 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.758 0.313 . . . . 0.0 111.07 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 69.2 Cg_endo -74.75 154.99 44.16 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.602 2.201 . . . . 0.0 112.851 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -128.73 98.31 4.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.17 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 63.3 p-90 172.58 -178.75 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.994 0.426 . . . . 0.0 111.256 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.403 ' HB2' ' HD3' ' A' ' 52' ' ' PRO . 0.0 OUTLIER 174.06 132.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.508 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 mtm -83.26 -49.53 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -69.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -117.76 95.01 47.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.81 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -65.44 125.4 14.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.485 2.123 . . . . 0.0 112.199 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD3' ' HB2' ' A' ' 47' ' ' HIS . 57.4 Cg_endo -71.4 156.93 57.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.537 2.158 . . . . 0.0 112.181 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.57 92.42 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.459 2.106 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.744 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -93.61 146.75 23.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.393 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 66' ' ' LYS . 22.3 mt -106.45 118.81 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.34 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.3 tt0 -101.48 141.04 34.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.428 ' HB2' ' CG1' ' A' ' 62' ' ' ILE . 41.6 t -80.57 133.66 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.638 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.747 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -93.82 28.82 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 1.9 mpt_? -133.86 -78.63 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.1 p -81.47 -8.19 59.69 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.495 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 20.9 m170 68.42 87.92 0.12 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.05 0.452 . . . . 0.0 111.49 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.5 pt -143.21 -177.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.697 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.83 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -147.71 144.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.221 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.8 p -158.65 119.13 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.815 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -39.53 135.59 1.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.942 0.401 . . . . 0.0 111.393 -179.769 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.492 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.58 -30.7 21.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.17 -45.6 61.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.827 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.895 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.3 m-70 -53.38 -45.95 69.44 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.067 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.451 ' HE1' ' HB2' ' A' ' 22' ' ' HIS . 24.8 tpp -65.06 -53.52 44.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.08 -30.12 61.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.048 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -90.5 -21.95 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp 62.24 72.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.77 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -99.46 126.53 45.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.07 -23.57 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.951 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' HB1' ' A' ' 40' ' ' ALA . 12.4 pt -49.78 -27.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.43 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.895 HD11 ' HB3' ' A' ' 68' ' ' HIS . 57.5 mt -76.96 128.48 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -111.4 164.31 15.32 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 0.0 111.309 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 33.0 Cg_endo -65.45 168.33 14.83 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.9 t -70.44 146.56 50.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -91.9 -45.92 8.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 30.9 m -62.74 -26.35 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.665 0.269 . . . . 0.0 111.492 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -52.06 -27.77 15.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.78 -58.9 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.82 0.343 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.34 -65.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -72.07 176.6 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.79 178.21 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.69 149.63 68.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.87 122.12 7.9 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.559 2.173 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -166.71 114.18 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.401 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 16.8 p90 -121.41 93.86 48.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.75 -168.75 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.113 . . . . 0.0 112.32 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.837 HG11 ' HB3' ' A' ' 16' ' ' LYS . 10.9 p -73.09 136.06 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.26 111.13 3.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' CG ' ' HA ' ' A' ' 30' ' ' THR . 87.3 Cg_exo -44.64 174.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.939 2.426 . . . . 0.0 112.826 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 13' ' ' VAL . 16.0 t 64.35 32.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.04 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.71 -163.74 9.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -61.5 -52.66 63.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.837 ' HB3' HG11 ' A' ' 10' ' ' VAL . 6.3 tttt -80.19 111.15 16.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 m -167.43 146.2 4.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -101.82 174.53 5.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.75 116.68 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.82 109.31 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.968 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.7 t -80.28 131.73 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 1.1 t60 -164.99 111.76 0.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 30.27 80.4 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.92 12.44 35.92 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.709 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.69 134.07 53.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.378 0.589 . . . . 0.0 111.916 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.4 73.47 1.18 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.33 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.6 m-85 -63.01 160.21 15.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.4 mm -128.65 130.83 23.49 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.5 Cg_endo -69.21 115.22 3.91 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.757 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.435 ' HA ' ' CG ' ' A' ' 12' ' ' PRO . 10.3 t -154.36 166.69 32.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.967 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.5 mt -111.18 158.89 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.6 m-85 -134.46 119.69 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 1.3 m80 -88.35 -17.28 30.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 2.0 p90 -108.69 167.9 8.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 33.8 Cg_exo -60.05 110.36 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.674 2.25 . . . . 0.0 112.547 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.832 HG23 ' HD3' ' A' ' 63' ' ' LYS . 1.5 m -118.46 126.81 52.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.992 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -87.82 117.27 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.4 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.16 155.47 40.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.07 179.295 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -91.95 -30.3 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.504 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.628 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -64.65 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.607 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.4 p -79.46 -166.8 1.03 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.6 ptp -101.83 -26.43 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.68 152.05 10.22 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.029 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.99 61.35 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.683 2.256 . . . . 0.0 112.522 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.6 tt -129.19 103.83 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.712 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.444 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 65.5 p-90 172.65 -177.0 0.06 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.114 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -178.07 136.57 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mtm -86.52 -40.39 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -83.25 -76.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -112.3 96.09 33.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.644 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -66.06 122.71 10.3 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.358 2.039 . . . . 0.0 112.19 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.4 158.67 56.57 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.524 2.149 . . . . 0.0 112.204 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.1 94.62 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.666 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.71 162.49 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 54' ' ' ALA . 31.2 mt -123.9 115.2 20.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 20.8 tt0 -102.34 134.17 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' HB2' HG13 ' A' ' 62' ' ' ILE . 41.6 t -75.76 135.57 40.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.526 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -95.18 30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.7 -76.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.908 179.856 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.0 p -86.64 -7.13 58.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.464 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.0 m80 68.15 90.75 0.09 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -151.05 133.94 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.562 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.832 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -100.75 147.01 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 0.0 111.523 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -158.29 123.92 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.764 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.853 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.46 136.71 9.51 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.957 0.408 . . . . 0.0 110.885 -179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.59 -30.88 22.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.101 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -45.35 63.29 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.734 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.886 ' HB3' HD11 ' A' ' 76' ' ' ILE . 14.3 m-70 -55.36 -42.64 74.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.946 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.5 tpp -67.01 -49.14 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -27.96 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -87.67 -19.08 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.387 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.99 51.1 2.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.627 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -79.45 124.52 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.966 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.33 -22.7 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.628 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.0 pt -49.99 -26.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.555 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.886 HD11 ' HB3' ' A' ' 68' ' ' HIS . 54.9 mt -77.57 134.27 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -119.39 163.76 25.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.342 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.8 Cg_endo -64.53 165.93 19.0 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.655 2.237 . . . . 0.0 112.463 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.578 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.1 t -68.71 146.51 52.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HD2' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -95.18 -42.88 8.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.685 -179.55 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.443 HG22 ' SG ' ' A' ' 79' ' ' CYS . 32.6 m -64.06 -25.92 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 111.338 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -55.81 -30.29 61.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.045 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -75.44 -63.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.814 0.34 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -68.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.25 102.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.82 -178.09 5.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -63.39 129.49 93.61 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.19 165.76 28.96 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.421 2.08 . . . . 0.0 112.403 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -152.05 79.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.2 t80 61.21 76.09 0.42 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.54 178.78 5.26 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.552 2.168 . . . . 0.0 112.312 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.8 p -136.1 112.72 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -94.48 112.35 57.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.72 -172.4 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.326 2.018 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 13' ' ' VAL . 13.5 p -75.86 122.15 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.05 127.32 6.06 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.601 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.21 -41.85 80.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.888 0.375 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -109.61 103.82 12.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.45 154.98 22.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -91.22 174.65 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.73 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.44 120.22 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.655 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.9 mp -75.83 108.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.491 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 134.52 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -154.55 -176.81 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.744 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -50.46 91.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.194 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.23 14.54 26.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.799 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -126.54 136.79 53.04 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 112.104 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -124.99 82.99 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.94 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.5 m-85 -72.82 160.36 32.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.357 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.459 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.25 132.96 24.64 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.055 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 51.6 Cg_endo -69.75 116.32 4.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.487 2.125 . . . . 0.0 112.583 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -155.96 166.56 33.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.624 HD13 ' HG2' ' A' ' 51' ' ' PRO . 40.6 mt -111.23 157.46 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 55.3 m-85 -134.34 119.24 18.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -93.07 -12.83 29.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.022 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -106.07 161.46 22.76 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.629 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.489 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 15.4 Cg_endo -57.19 99.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.639 2.226 . . . . 0.0 112.748 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -111.93 129.42 56.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.058 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -96.08 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.312 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 159.23 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -35.49 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.544 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -57.84 -86.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.506 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -81.17 -168.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.062 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.71 43.4 2.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.178 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 157.5 45.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 56.0 Cg_endo -70.8 131.69 20.24 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.609 2.206 . . . . 0.0 112.588 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.9 tt -112.27 105.74 14.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.489 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 54.4 p-90 169.53 -178.32 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 110.997 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.41 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER 179.33 130.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.654 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ptp -79.01 -46.32 18.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -74.09 -73.26 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.372 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 23.7 mmtt -120.05 95.2 49.07 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.296 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HG2' HD13 ' A' ' 31' ' ' LEU . 32.6 Cg_endo -64.06 122.51 10.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.504 2.136 . . . . 0.0 112.081 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 42.9 Cg_endo -67.74 156.34 66.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.519 2.146 . . . . 0.0 112.274 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.59 93.19 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.501 2.134 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.74 159.74 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 33.5 mt -119.26 116.48 26.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.007 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 7.4 tt0 -101.49 134.33 44.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.211 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.409 ' CB ' HG13 ' A' ' 62' ' ' ILE . 38.6 t -75.13 134.83 41.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.478 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' CD ' HD11 ' A' ' 28' ' ' ILE . 5.5 ptm180 -95.21 32.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.5 -76.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.907 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.473 ' HB3' HG13 ' A' ' 81' ' ' VAL . 18.9 p -87.56 -7.97 56.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.495 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 69.68 92.63 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 0.0 111.238 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.0 pt -153.88 135.53 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 1.9 mptt -100.51 148.25 24.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.04 0.448 . . . . 0.0 111.552 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 33.5 m -158.15 121.46 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.825 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -44.5 135.55 4.69 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 111.075 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.39 -30.86 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.032 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.33 -45.92 62.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.869 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.825 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.8 m-70 -54.32 -49.91 68.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.029 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.655 ' HG2' HG21 ' A' ' 20' ' ' ILE . 49.4 tpp -63.55 -49.66 72.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -30.82 69.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -88.65 -20.97 24.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 64.51 58.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 0.0 110.734 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.65 125.95 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.14 -22.24 50.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.6 pt -49.52 -28.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.621 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 68' ' ' HIS . 46.4 mt -73.23 137.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.722 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -117.21 164.87 17.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.722 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 34.9 Cg_endo -66.53 156.77 63.9 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.573 2.182 . . . . 0.0 112.482 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 81' ' ' VAL . 7.2 t -58.86 142.15 51.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -86.52 -42.19 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.676 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.5 m -62.95 -16.66 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.634 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -49.49 -30.15 7.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.875 0.369 . . . . 0.0 111.214 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -87.17 -57.85 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.72 0.295 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -141.75 -46.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 mttm 61.41 108.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 149.76 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -72.8 156.06 90.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.6 118.73 5.81 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.558 2.172 . . . . 0.0 112.074 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.57 122.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.753 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -103.18 92.41 3.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.03 173.95 12.07 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.545 2.163 . . . . 0.0 112.376 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.448 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 23.4 t -128.5 87.13 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -76.47 108.44 6.35 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 10' ' ' VAL . 57.0 Cg_endo -70.27 178.65 4.67 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.48 2.12 . . . . 0.0 112.361 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.573 HG12 ' H ' ' A' ' 16' ' ' LYS . 13.9 t 55.35 79.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.33 -28.05 63.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.576 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.12 -60.54 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.573 ' H ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -168.5 103.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.72 112.22 24.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -73.37 174.69 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.619 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.51 116.82 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.74 110.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.065 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.53 133.84 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.485 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 40.1 t-80 -165.86 110.93 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.219 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt 30.14 80.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.4 12.25 38.23 Favored Glycine 0 C--O 1.23 -0.103 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.604 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -123.5 133.57 54.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.418 0.609 . . . . 0.0 111.937 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -122.48 72.37 1.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.6 m-85 -62.15 160.29 13.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.021 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.456 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.8 mm -128.75 131.93 24.05 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.13 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 55.4 Cg_endo -70.56 117.03 4.9 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.518 2.146 . . . . 0.0 112.625 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t -157.42 166.67 32.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.94 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' HG2' ' A' ' 51' ' ' PRO . 88.5 mt -111.23 159.02 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 58.8 m-85 -135.88 117.97 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.048 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 4.1 m170 -86.58 -20.6 27.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.8 m-85 -100.15 170.38 6.77 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 20.7 Cg_exo -65.95 105.91 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.845 2.363 . . . . 0.0 112.446 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.7 m -117.38 126.4 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.147 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -88.59 113.86 24.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 164.35 5.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.267 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -98.03 -36.86 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -57.54 -85.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.5 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.1 p -82.72 -171.94 3.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -93.96 -26.9 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 152.61 10.52 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.16 178.87 4.37 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.363 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.7 tt -147.93 102.2 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 177.46 179.28 0.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.11 0.481 . . . . 0.0 111.011 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.31 138.23 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 ptp -93.46 -44.15 8.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -73.01 -65.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -129.04 93.55 36.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.654 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.0 Cg_endo -64.37 126.65 17.39 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.416 2.077 . . . . 0.0 112.016 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.69 155.58 44.42 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.496 2.13 . . . . 0.0 112.368 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.36 95.64 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.526 2.15 . . . . 0.0 112.128 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.782 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.54 159.25 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.511 HD21 ' HD2' ' A' ' 66' ' ' LYS . 31.3 mt -119.29 111.51 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.8 tt0 -99.65 135.95 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.42 ' HB2' HG13 ' A' ' 62' ' ' ILE . 43.7 t -78.19 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.591 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' CD ' HD11 ' A' ' 28' ' ' ILE . 2.9 ptm180 -93.27 29.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -134.81 -76.0 0.46 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.968 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 18.4 p -88.35 -4.9 58.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.465 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.9 m80 66.85 92.26 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.091 0.472 . . . . 0.0 111.292 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.7 pt -153.83 132.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.381 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 5.1 mptt -102.73 147.18 27.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.817 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.2 p -158.39 122.05 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.531 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.821 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -43.05 136.53 2.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.43 -30.9 20.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -46.26 61.67 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.644 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.867 ' HB3' HD11 ' A' ' 76' ' ' ILE . 13.4 m-70 -54.35 -40.34 67.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.807 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 40.8 tpp -70.54 -53.2 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.04 -30.78 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -87.76 -22.0 24.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.97 73.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.389 . . . . 0.0 110.589 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.84 128.48 48.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.4 -23.0 35.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.988 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.626 HG13 ' HB1' ' A' ' 40' ' ' ALA . 11.6 pt -49.56 -27.31 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.419 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 68' ' ' HIS . 53.0 mt -79.62 135.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.935 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -120.11 164.6 21.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.189 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.2 Cg_endo -64.53 166.85 16.41 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.626 2.217 . . . . 0.0 112.391 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.586 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.7 t -69.35 146.26 52.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -92.7 -46.6 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.228 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 ' SG ' ' A' ' 79' ' ' CYS . 27.7 m -60.96 -22.78 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -52.61 -30.23 30.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.114 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.53 -46.14 14.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.737 0.303 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -128.68 98.82 5.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.0 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.98 136.72 54.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 153.11 45.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.29 137.77 86.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.03 -174.38 1.92 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.484 2.123 . . . . 0.0 112.385 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 60.78 83.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.8 t80 59.49 79.12 0.31 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.93 176.28 8.56 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.505 2.136 . . . . 0.0 112.251 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.41 108.68 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -96.09 106.44 28.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.97 -168.15 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.353 2.036 . . . . 0.0 112.318 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.22 114.21 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.202 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.15 131.64 4.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.597 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -39.18 87.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.22 130.23 46.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.06 126.72 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.061 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.453 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -64.92 174.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.743 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -129.96 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.128 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.604 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.66 106.8 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.606 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.42 132.72 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -150.85 -168.02 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -53.24 90.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.27 14.37 25.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.774 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -125.11 139.01 54.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.285 0.564 . . . . 0.0 112.27 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 77.1 1.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.996 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.519 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.2 m-85 -68.07 160.49 28.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.316 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.521 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.6 mm -130.21 133.7 25.24 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.025 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.6 Cg_endo -69.09 113.79 3.38 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.445 2.096 . . . . 0.0 112.571 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -153.48 166.54 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.715 HD13 ' HG2' ' A' ' 51' ' ' PRO . 66.7 mt -111.32 157.4 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 m-85 -138.02 108.25 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -18.79 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.407 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 6.6 m-85 -99.88 170.54 6.62 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 21.3 Cg_exo -65.73 109.31 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.709 2.273 . . . . 0.0 112.551 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.7 m -120.57 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.939 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -88.06 113.36 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.7 155.97 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.041 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.24 -31.42 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.516 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -62.33 -88.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.5 p -79.59 -173.16 3.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.3 -25.74 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 149.9 28.09 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.28 163.85 37.17 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.524 2.149 . . . . 0.0 112.425 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.2 tt -132.51 103.52 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.41 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 9.0 p-90 175.79 -176.94 0.12 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.02 142.21 0.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.572 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -40.72 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -86.44 -78.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.323 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -110.39 96.9 28.99 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.12 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.715 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.7 Cg_endo -64.79 121.97 9.67 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.373 2.049 . . . . 0.0 112.081 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 155.83 68.66 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.153 . . . . 0.0 112.403 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.55 93.24 0.2 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.514 2.143 . . . . 0.0 112.176 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.669 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.71 160.42 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.011 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.604 HD22 HD13 ' A' ' 20' ' ' ILE . 38.8 mt -121.16 115.49 23.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.94 134.99 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.418 ' CB ' HG13 ' A' ' 62' ' ' ILE . 42.1 t -76.12 134.58 39.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -95.29 31.9 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.438 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -136.22 -76.5 0.43 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 p -85.47 -14.03 47.33 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.294 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.2 m170 76.09 89.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -154.19 135.29 5.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.658 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 5.5 mptt -100.74 150.2 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.023 0.44 . . . . 0.0 111.658 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 m -158.3 122.11 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.561 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.842 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.86 135.5 7.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -30.77 22.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -45.4 57.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.744 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.842 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.3 m-70 -54.73 -52.01 63.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.016 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.21 -48.2 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.54 -31.29 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -87.71 -16.04 35.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.293 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 64.37 59.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.969 0.414 . . . . 0.0 110.61 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -83.92 144.12 29.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.036 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -93.23 36.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.299 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.784 HG13 ' HB1' ' A' ' 40' ' ' ALA . 7.4 pt -110.24 -22.42 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.628 HD11 ' HB3' ' A' ' 68' ' ' HIS . 31.1 mt -76.87 124.63 35.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -98.9 163.62 18.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.112 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.697 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 28.5 Cg_endo -63.39 154.24 69.57 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.229 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 9.1 t -54.03 146.31 14.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.603 ' HE2' HG13 ' A' ' 81' ' ' VAL . 1.2 pttt -87.96 -35.65 17.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.58 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.603 HG13 ' HE2' ' A' ' 80' ' ' LYS . 33.4 m -85.56 9.19 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -50.74 -30.51 14.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.732 0.301 . . . . 0.0 111.172 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.23 -42.0 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 2.3 m-80 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.617 0.246 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.52 119.76 17.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.055 0.455 . . . . 0.0 111.244 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.545 HD13 HD22 ' A' ' 55' ' ' LEU . 3.9 mp -75.83 105.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.558 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.4 135.7 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -155.07 -175.82 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.655 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.2 ptpp? -50.6 90.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.51 13.34 30.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.783 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -126.05 135.77 52.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.105 0.479 . . . . 0.0 112.084 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.55 78.41 1.59 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.481 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 3.3 m-85 -67.56 160.44 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.356 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.627 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -130.69 132.88 24.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.973 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 47.8 Cg_endo -69.07 114.5 3.61 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.328 2.019 . . . . 0.0 112.222 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -158.07 164.34 36.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.89 HD13 ' HG2' ' A' ' 51' ' ' PRO . 71.4 mt -111.34 157.75 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 10.3 m-85 -137.06 96.27 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -15.25 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -99.7 167.23 11.44 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.622 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.35 99.41 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.677 2.252 . . . . 0.0 112.519 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.724 HG23 ' HD3' ' A' ' 63' ' ' LYS . 29.3 m -113.09 137.04 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.0 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -100.63 134.48 43.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 111.705 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -75.99 147.18 39.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.881 179.259 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HG3' HG21 ' A' ' 62' ' ' ILE . 3.7 mm-40 -85.96 -34.74 20.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.416 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.706 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -62.0 -89.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.5 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.4 p -79.33 -168.01 1.38 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.748 0.309 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -115.77 58.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.14 159.03 72.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.28 136.73 29.66 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.541 2.16 . . . . 0.0 112.613 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.835 HD21 ' HB1' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -117.93 103.87 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.597 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.431 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 56.1 p-90 167.95 -178.29 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.5 132.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.751 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -40.97 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -81.61 -74.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -114.8 94.97 39.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.89 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -66.39 122.55 10.03 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.5 2.133 . . . . 0.0 112.133 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.72 151.08 63.3 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.471 2.114 . . . . 0.0 112.174 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.02 92.45 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.407 2.071 . . . . 0.0 111.79 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' HD21 ' A' ' 45' ' ' LEU . . . -90.69 143.34 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.667 HD21 ' HD2' ' A' ' 66' ' ' LYS . 37.7 mt -105.74 112.38 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.7 tt0 -97.9 139.76 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.116 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.7 t -80.6 134.79 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.652 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.627 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.29 30.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.76 -74.09 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.526 ' SG ' HG23 ' A' ' 62' ' ' ILE . 28.1 p -85.4 -7.37 58.98 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.508 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.3 m170 68.14 81.32 0.19 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.095 0.474 . . . . 0.0 111.308 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 pt -138.13 -174.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.724 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.2 OUTLIER -149.7 147.95 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.045 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -158.02 121.41 3.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.48 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.774 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -42.5 133.59 3.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.667 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.28 -30.52 18.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -50.83 -46.76 60.16 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.78 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.774 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 10.3 m-70 -51.33 -51.29 55.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.248 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.2 tpp -62.53 -46.73 87.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.06 -29.71 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -94.25 -19.54 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm 63.88 74.72 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.386 . . . . 0.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -101.45 127.53 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -22.44 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.706 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.0 pt -48.59 -34.49 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.584 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.586 HD11 ' HB3' ' A' ' 68' ' ' HIS . 43.8 mt -65.66 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -118.89 164.76 19.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 111.268 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.71 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 38.8 Cg_endo -68.97 157.58 61.31 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.655 2.237 . . . . 0.0 112.478 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.5 t -62.23 146.31 51.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.511 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -95.94 -40.49 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.829 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.541 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.3 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.298 . . . . 0.0 111.498 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.688 0.28 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -146.31 118.5 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.146 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.449 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.84 105.59 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.559 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -77.97 137.34 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -156.1 -169.45 3.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -53.1 88.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.211 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.45 12.05 37.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.918 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.75 138.33 54.29 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.176 0.513 . . . . 0.0 112.203 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.87 77.77 1.75 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.987 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 2.7 m-85 -67.57 160.46 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.26 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.493 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -128.55 130.92 23.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.102 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.07 112.04 2.84 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.571 2.181 . . . . 0.0 112.186 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -156.93 170.39 22.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 0.0 111.454 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.829 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.2 mt -113.45 157.74 21.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.549 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.448 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 9.6 m-85 -134.58 107.37 7.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 3.3 m-70 -79.95 -5.94 56.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.339 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -110.69 169.33 6.44 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.4 106.55 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.784 2.323 . . . . 0.0 112.624 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.77 HG23 ' HD3' ' A' ' 63' ' ' LYS . 1.2 m -121.68 141.45 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.212 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.68 141.23 36.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.14 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -87.17 148.37 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.389 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.74 -38.45 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.65 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.329 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.79 -164.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.705 0.288 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -119.46 47.42 1.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.75 159.82 44.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.38 141.66 43.28 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.514 HD23 ' HB2' ' A' ' 63' ' ' LYS . 25.2 tp -121.8 101.02 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 169.61 -177.94 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.94 143.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -41.81 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.21 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.98 -78.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.168 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -112.13 95.56 30.65 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.242 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.829 ' HG2' HD13 ' A' ' 31' ' ' LEU . 38.1 Cg_endo -66.57 125.73 14.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.357 2.038 . . . . 0.0 112.238 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 156.41 56.43 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.497 2.131 . . . . 0.0 112.186 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.37 91.91 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.539 2.159 . . . . 0.0 112.09 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -90.8 139.15 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 26.0 mt -100.83 110.66 22.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.3 tt0 -97.3 139.94 32.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.402 ' CB ' ' CG1' ' A' ' 62' ' ' ILE . 41.1 t -80.78 134.27 35.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.574 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.493 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.1 30.79 1.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 3.7 mtt-85 -135.39 -73.52 0.46 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.501 ' SG ' HG23 ' A' ' 62' ' ' ILE . 25.1 p -86.72 -6.05 58.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.669 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 1.7 m-70 67.24 81.05 0.2 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.092 0.472 . . . . 0.0 111.326 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 3.9 pt -138.68 -179.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.757 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.77 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -148.18 145.56 28.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 111.267 179.743 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 65' ' ' HIS . 7.2 p -158.67 113.89 2.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.771 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.21 134.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 0.0 111.992 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.73 -30.65 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.661 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -47.03 51.15 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.573 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.771 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.6 m-70 -52.1 -52.96 48.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.038 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.4 tpp -63.42 -50.87 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.24 -28.63 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -94.91 -17.42 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.37 79.21 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.779 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -108.12 121.51 44.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.05 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.55 -22.77 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.557 HG13 ' HB1' ' A' ' 40' ' ' ALA . 19.5 pt -47.74 -28.58 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 68' ' ' HIS . 44.8 mt -72.8 129.75 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -108.44 164.89 13.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.9 Cg_endo -65.08 157.51 56.89 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.544 2.163 . . . . 0.0 112.457 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.4 t -58.02 146.38 32.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.664 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -88.12 -41.88 12.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.837 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.498 HG22 ' SG ' ' A' ' 79' ' ' CYS . 31.5 m . . . . . 0 C--N 1.331 -0.227 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.79 0.329 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.65 117.33 16.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.962 0.411 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.589 HD13 HD22 ' A' ' 55' ' ' LEU . 3.8 mp -75.86 111.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.895 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.13 134.64 35.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.455 ' CD2' ' HE1' ' A' ' 69' ' ' MET . 2.6 t60 -165.96 109.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 29.82 80.5 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.34 10.19 40.68 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.699 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.99 133.53 54.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.415 0.608 . . . . 0.0 112.014 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.29 70.99 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.8 m-85 -61.73 160.28 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.8 mm -128.47 133.45 25.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.56 114.77 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.372 2.048 . . . . 0.0 112.55 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -154.67 165.42 36.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.883 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 ' HG2' ' A' ' 51' ' ' PRO . 54.6 mt -115.05 152.81 31.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CE1' ' HG2' ' A' ' 63' ' ' LYS . 25.1 m-85 -131.16 110.59 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -80.82 -12.63 59.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 4.0 m-85 -104.94 170.56 5.85 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.402 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 34.6 Cg_exo -61.87 108.95 0.71 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.658 2.239 . . . . 0.0 112.572 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.3 m -122.95 128.67 50.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -94.63 111.86 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.223 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -56.4 155.09 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.172 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.34 -36.16 14.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.608 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -58.08 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.493 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.9 p -80.07 -165.66 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.717 0.294 . . . . 0.0 111.157 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 mtm -101.76 -26.22 13.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.336 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.13 153.57 4.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.24 169.18 20.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.597 2.198 . . . . 0.0 112.57 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.75 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.6 tt -144.34 105.27 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 172.94 -178.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 111.208 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 179.65 137.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.468 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 mtm -86.13 -37.76 18.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -87.78 -76.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -111.64 95.45 27.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 31' ' ' LEU . 40.9 Cg_endo -67.7 129.64 20.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.424 2.083 . . . . 0.0 112.004 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 151.56 56.82 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.496 2.13 . . . . 0.0 112.314 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.84 92.91 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.59 2.193 . . . . 0.0 112.265 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.75 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.87 158.12 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.747 HD21 ' HD2' ' A' ' 66' ' ' LYS . 43.3 mt -117.98 113.64 21.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.0 tt0 -100.5 131.3 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.265 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.417 ' CB ' HG13 ' A' ' 62' ' ' ILE . 43.5 t -73.72 135.93 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -94.82 29.68 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -134.55 -74.8 0.47 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.443 ' HB3' HG13 ' A' ' 81' ' ' VAL . 22.1 p -88.39 -6.5 57.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 3.0 m170 67.13 87.63 0.12 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.879 0.371 . . . . 0.0 111.364 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.494 HD11 ' HE1' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -148.94 134.35 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.27 179.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.05 143.96 34.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.019 0.438 . . . . 0.0 111.771 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.6 m -155.19 129.8 9.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.022 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.789 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.91 133.98 8.25 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.995 0.426 . . . . 0.0 111.392 -179.353 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.747 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.71 -30.75 23.41 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -50.42 -46.17 56.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.819 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.789 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.1 m-70 -52.27 -52.55 52.12 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.019 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.455 ' HE1' ' CD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.14 -47.38 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -29.96 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -87.24 -15.92 36.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.65 39.0 6.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.42 144.48 56.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.44 43.16 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.246 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.608 HG13 ' HB1' ' A' ' 40' ' ' ALA . 7.6 pt -115.71 -27.35 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.383 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 ' HB3' ' A' ' 68' ' ' HIS . 19.9 mt -73.49 140.35 17.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -121.3 164.31 24.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.183 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.691 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 25.0 Cg_endo -62.35 158.16 41.85 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.549 2.166 . . . . 0.0 112.317 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -59.15 146.39 39.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -43.02 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.769 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.505 HG22 ' SG ' ' A' ' 79' ' ' CYS . 33.7 m . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.423 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 4.0 m-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.719 0.295 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.45 118.23 17.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 20' ' ' ILE . 4.1 mp -75.77 110.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -75.78 140.07 42.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -159.68 178.22 10.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.45 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.7 ptpp? -47.43 93.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 58.19 14.94 20.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.7 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.681 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -125.98 137.89 53.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.13 0.491 . . . . 0.0 112.105 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.04 77.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.732 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.2 m-85 -67.67 160.5 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.341 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.715 HD11 ' HD3' ' A' ' 58' ' ' ARG . 5.2 mm -129.75 133.76 25.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.096 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 55.6 Cg_endo -71.12 116.63 4.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.504 2.136 . . . . 0.0 112.549 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.46 163.86 39.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.884 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.668 HD13 ' HG2' ' A' ' 51' ' ' PRO . 62.0 mt -111.18 155.78 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.588 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.4 m-85 -137.5 96.61 3.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.206 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -68.8 -14.96 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 2.6 p90 -102.42 160.97 24.72 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 34' ' ' PHE . 17.8 Cg_endo -57.81 109.73 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.684 2.256 . . . . 0.0 112.574 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.796 HG23 ' HD3' ' A' ' 63' ' ' LYS . 2.8 m -121.88 132.93 54.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.957 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -94.39 114.33 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 111.552 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 163.23 3.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.912 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.87 -34.94 10.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.506 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.786 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -60.8 -85.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.548 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.5 p -80.42 -167.6 1.4 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.91 0.386 . . . . 0.0 111.096 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 mmt -100.69 -25.42 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -53.17 154.2 5.83 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.75 171.34 15.74 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.598 2.199 . . . . 0.0 112.544 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.8 tt -143.07 100.57 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 177.88 -176.34 0.18 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.078 0.466 . . . . 0.0 111.205 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.03 140.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.527 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.2 mtm -88.42 -41.06 13.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.207 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -82.4 -77.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 28.0 mmtp -114.34 96.52 43.12 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.076 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.668 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.2 Cg_endo -63.22 122.97 11.37 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.35 2.033 . . . . 0.0 112.112 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.17 155.71 68.4 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.591 2.194 . . . . 0.0 112.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.05 93.74 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.538 2.159 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.772 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.48 157.09 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.538 HD21 ' HD2' ' A' ' 66' ' ' LYS . 39.0 mt -118.19 116.27 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.28 137.04 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 48.4 t -77.63 135.02 38.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.715 ' HD3' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -96.28 29.25 2.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.65 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.577 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -135.98 -73.47 0.45 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.15 -4.87 57.03 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.545 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m80 65.92 90.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 111.284 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.681 HD11 ' CE1' ' A' ' 25' ' ' HIS . 13.6 pt -151.7 138.61 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.329 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -103.57 147.74 26.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.989 0.424 . . . . 0.0 111.509 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 64.1 m -158.1 122.5 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.822 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -46.33 136.16 7.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.34 -30.84 19.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.038 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.64 -46.25 63.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.822 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 11.9 m-70 -53.49 -53.32 53.15 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.105 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.451 ' HA ' ' HE3' ' A' ' 69' ' ' MET . 0.0 OUTLIER -65.4 -44.59 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -30.59 69.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -92.18 -13.25 30.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.05 37.35 6.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.701 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.53 142.18 28.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.17 37.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.786 HG13 ' HB1' ' A' ' 40' ' ' ALA . 8.4 pt -112.13 -21.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.252 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.561 HD11 ' HB3' ' A' ' 68' ' ' HIS . 32.2 mt -76.72 148.94 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -124.33 164.01 32.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.058 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.3 Cg_endo -64.82 148.75 90.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.528 2.152 . . . . 0.0 112.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.619 ' SG ' HG22 ' A' ' 81' ' ' VAL . 6.1 t -54.65 146.43 16.71 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -40.71 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.44 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.619 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.8 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.471 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.407 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.725 0.298 . . . . 0.0 110.791 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -133.05 117.56 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.912 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.517 HD13 HD22 ' A' ' 55' ' ' LEU . 4.1 mp -75.85 110.07 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.048 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.17 134.54 36.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 13.8 t60 -166.45 110.75 0.78 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.26 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt 29.49 79.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.39 11.67 48.17 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.49 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.74 134.16 53.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.397 0.598 . . . . 0.0 112.084 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.2 71.32 1.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.0 m-85 -61.68 160.37 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.853 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.431 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.17 132.38 24.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.076 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 49.7 Cg_endo -69.64 114.67 3.76 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.48 2.12 . . . . 0.0 112.403 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 t -155.5 168.04 28.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.729 HD13 ' HG2' ' A' ' 51' ' ' PRO . 54.2 mt -111.27 157.29 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 49.3 m-85 -135.99 111.32 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.028 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -86.47 -12.78 48.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.393 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -105.99 165.44 13.04 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.16 103.1 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.768 2.312 . . . . 0.0 112.867 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 17.0 m -119.81 141.29 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.034 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -101.17 146.32 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -95.78 143.76 26.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.229 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.47 -37.05 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.66 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.1 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.343 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -81.89 -169.91 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.1 mmt -95.94 -24.42 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 156.13 7.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.36 -167.97 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD23 ' HB2' ' A' ' 63' ' ' LYS . 36.6 tp -160.57 104.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.722 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 170.5 176.61 0.06 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.91 127.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -82.32 -48.42 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.05 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.94 -73.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -121.81 93.77 48.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.01 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.729 ' HG2' HD13 ' A' ' 31' ' ' LEU . 36.8 Cg_endo -65.48 119.81 6.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.47 2.113 . . . . 0.0 112.111 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.32 154.83 71.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.583 2.188 . . . . 0.0 112.364 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.33 94.85 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.055 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.55 158.11 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 20' ' ' ILE . 41.0 mt -117.15 109.47 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -97.23 133.25 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.178 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.1 t -76.77 134.99 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.631 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.431 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.8 29.3 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -134.58 -78.65 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.941 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.459 ' HB3' HG22 ' A' ' 81' ' ' VAL . 18.8 p -84.79 -7.9 59.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.289 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 36.2 m-70 69.19 94.43 0.07 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.941 0.4 . . . . 0.0 111.295 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 25' ' ' HIS . 1.8 pt -156.85 133.81 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.685 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.485 ' HB2' HD23 ' A' ' 45' ' ' LEU . 6.5 mptt -101.71 146.83 27.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.357 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.0 m -157.77 117.36 3.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.778 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.48 132.53 0.82 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.981 0.42 . . . . 0.0 111.779 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -30.65 23.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -49.11 -45.49 43.52 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.755 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.778 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 11.6 m-70 -53.52 -50.34 65.65 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.021 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.3 tpp -63.92 -49.56 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -29.91 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -90.1 -15.59 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.401 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.69 37.35 5.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.922 0.392 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.37 141.08 43.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -91.71 41.4 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.66 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.5 pt -115.41 -32.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.096 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.717 HD11 ' HB3' ' A' ' 68' ' ' HIS . 37.3 mt -64.82 138.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.698 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -117.56 164.55 18.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.698 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 24.2 Cg_endo -62.37 159.02 37.54 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.598 2.198 . . . . 0.0 112.294 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.2 t -59.32 146.51 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.26 -41.47 14.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.385 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 60' ' ' CYS . 34.4 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.647 0.26 . . . . 0.0 111.198 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.84 0.352 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.68 118.41 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.513 HD13 HD22 ' A' ' 55' ' ' LEU . 3.9 mp -75.78 109.92 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.93 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -78.17 133.74 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 69.8 t60 -165.51 109.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' CG ' ' CD2' ' A' ' 22' ' ' HIS . 0.9 OUTLIER 30.05 79.85 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.79 10.89 40.74 Favored Glycine 0 CA--C 1.515 0.094 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.601 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -122.97 133.36 54.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.322 0.561 . . . . 0.0 111.871 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.67 71.99 1.0 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.282 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 9.6 m-85 -60.27 160.26 8.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.024 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.644 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.5 mm -129.87 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 114.1 3.49 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 C-N-CA 122.422 2.081 . . . . 0.0 112.434 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.1 166.18 34.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.823 HD13 ' HG2' ' A' ' 51' ' ' PRO . 70.1 mt -111.33 158.55 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 67.2 m-85 -135.38 111.99 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.418 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 53.4 m170 -83.56 -13.99 53.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -106.3 166.19 11.65 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 27.7 Cg_exo -62.25 103.25 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.778 2.319 . . . . 0.0 112.713 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 9.2 m -116.35 140.79 48.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.871 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -99.74 143.65 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 111.639 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 138.79 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -59.36 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.336 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.6 p -80.33 -166.15 1.0 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.854 0.359 . . . . 0.0 111.055 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtt -102.25 -23.93 13.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 150.84 7.02 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.41 165.91 28.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.525 2.15 . . . . 0.0 112.525 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 63' ' ' LYS . 35.6 tp -137.68 101.89 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 50.4 p-90 169.58 -178.28 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 111.059 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.69 151.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.589 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.04 -47.41 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -72.5 -71.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 25.6 mmtt -121.99 94.84 47.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.823 ' HG2' HD13 ' A' ' 31' ' ' LEU . 28.7 Cg_endo -63.18 126.74 18.5 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.422 2.081 . . . . 0.0 112.105 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.58 154.36 49.82 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.471 2.114 . . . . 0.0 112.281 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.46 91.78 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.373 2.049 . . . . 0.0 112.17 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -90.8 146.8 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.644 HD21 ' HD2' ' A' ' 66' ' ' LYS . 30.0 mt -108.48 115.32 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.0 134.83 43.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.983 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.402 ' HB2' HG13 ' A' ' 62' ' ' ILE . 36.8 t -74.61 137.0 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.721 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.644 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.05 32.64 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -138.53 -78.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 p -84.68 -10.26 57.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.357 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 71.89 93.26 0.08 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.943 0.401 . . . . 0.0 111.036 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.1 pt -155.32 132.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.5 ' HB2' HD23 ' A' ' 45' ' ' LEU . 1.5 mptt -100.25 146.74 26.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.926 0.393 . . . . 0.0 111.317 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 55.7 m -158.11 116.33 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.636 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.784 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.17 132.85 0.71 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.942 0.401 . . . . 0.0 111.786 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.644 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.7 -30.58 22.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.555 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -49.24 -46.64 46.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.742 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.828 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -52.3 -49.59 63.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.995 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.51 ' HE2' ' HB2' ' A' ' 69' ' ' MET . 30.7 tpp -63.65 -48.73 76.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.17 -31.02 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -89.34 -16.55 30.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 48.34 3.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.947 0.403 . . . . 0.0 110.802 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.53 142.99 56.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.35 43.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' HB1' ' A' ' 40' ' ' ALA . 8.6 pt -117.22 -37.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.828 HD11 ' HB3' ' A' ' 68' ' ' HIS . 28.7 mt -63.23 126.51 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.694 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -105.99 164.36 15.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.694 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 28.1 Cg_endo -63.55 159.38 40.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.209 . . . . 0.0 112.405 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 6.6 t -61.02 146.46 47.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.66 -47.39 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.456 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 35.8 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.747 0.308 . . . . 0.0 111.326 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.775 0.321 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.68 118.27 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.87 110.99 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.26 132.8 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.2 t-80 -165.01 111.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt 30.09 79.9 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.92 12.15 34.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.641 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.8 133.69 54.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.256 0.528 . . . . 0.0 111.81 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -122.03 72.65 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.463 179.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.5 m-85 -61.52 160.27 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.2 mm -128.55 131.68 23.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.69 113.67 3.26 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.382 2.055 . . . . 0.0 112.195 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -156.89 165.87 34.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 51.9 mt -111.21 152.2 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 2.3 m-85 -128.12 108.79 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -10.02 59.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -108.07 166.74 10.39 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.702 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.448 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 26.4 Cg_exo -62.7 102.28 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.574 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -115.09 130.33 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.226 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -93.63 122.89 36.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.113 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 153.04 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.482 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -30.75 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.247 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.725 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -64.94 -91.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.673 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.8 -169.56 1.81 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.979 0.419 . . . . 0.0 111.271 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -97.45 -25.86 15.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 151.02 4.77 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 57.0 Cg_endo -71.18 156.63 59.08 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.564 2.176 . . . . 0.0 112.691 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 54' ' ' ALA . 1.0 OUTLIER -125.91 100.6 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.634 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.448 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 58.1 p-90 169.41 -179.65 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.31 126.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -79.24 -46.53 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.56 -68.59 0.42 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -126.22 93.53 43.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.054 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.464 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.8 Cg_endo -65.17 121.41 8.86 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.441 2.094 . . . . 0.0 112.057 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 157.59 57.69 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.479 2.119 . . . . 0.0 112.186 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HA ' HD23 ' A' ' 31' ' ' LEU . 33.4 Cg_endo -64.37 93.17 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.545 2.163 . . . . 0.0 112.157 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.695 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.94 152.65 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 21.0 mt -114.04 116.88 29.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.336 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 34.7 tt0 -103.67 138.97 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.441 ' CB ' HG13 ' A' ' 62' ' ' ILE . 34.7 t -77.69 135.25 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.427 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.43 32.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.33 -79.22 0.35 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 p -83.38 -8.85 59.34 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.564 0.221 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.58 92.44 0.08 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 pt -153.42 132.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' HG2' HG21 ' A' ' 36' ' ' THR . 0.1 OUTLIER -99.53 148.03 24.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.557 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.4 m -158.36 118.69 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.697 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.854 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -41.89 135.18 2.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.918 0.389 . . . . 0.0 111.122 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.6 -30.67 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.64 -45.77 58.02 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.771 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.875 ' HB3' HD11 ' A' ' 76' ' ' ILE . 13.6 m-70 -54.11 -47.22 72.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.072 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 25.8 tpp -66.25 -50.12 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -30.66 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.98 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -86.89 -19.29 29.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 49.87 3.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.84 147.33 45.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.39 39.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.224 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.725 HG13 ' HB1' ' A' ' 40' ' ' ALA . 5.4 pt -112.44 -28.06 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.18 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.875 HD11 ' HB3' ' A' ' 68' ' ' HIS . 27.9 mt -74.06 128.13 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.679 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -105.58 163.35 17.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.679 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 32.4 Cg_endo -65.65 164.84 25.04 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.672 2.248 . . . . 0.0 112.48 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -69.49 146.25 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -97.55 -43.12 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.536 HG22 ' SG ' ' A' ' 79' ' ' CYS . 28.6 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.503 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.778 0.323 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.35 116.47 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.411 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.5 HD13 HD22 ' A' ' 55' ' ' LEU . 4.2 mp -75.68 109.44 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.81 132.92 37.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 52.0 t-80 -165.91 110.04 0.82 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.112 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt 30.58 80.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.73 12.11 39.72 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.618 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.88 133.06 53.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.4 0.6 . . . . 0.0 111.89 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.67 71.61 1.04 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.252 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 12.1 m-85 -60.72 160.3 9.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.886 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.496 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.4 mm -126.45 131.07 23.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.217 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.84 110.48 2.58 Favored 'Trans proline' 0 CA--C 1.517 -0.336 0 C-N-CA 122.523 2.149 . . . . 0.0 112.133 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 t -153.89 171.66 18.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.782 HD13 ' HG2' ' A' ' 51' ' ' PRO . 56.9 mt -114.21 156.76 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HE2' ' A' ' 63' ' ' LYS . 1.6 m-85 -134.13 107.29 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -80.05 -18.51 49.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -99.49 169.89 7.53 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.752 0.311 . . . . 0.0 110.764 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.56 108.41 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.728 2.286 . . . . 0.0 112.546 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 6.0 m -124.25 139.87 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.066 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -97.41 143.06 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -91.33 149.5 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -87.31 -40.72 14.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -54.7 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.41 -166.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.6 mmt -102.6 -23.95 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -53.79 156.76 4.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 175.24 9.82 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.636 2.224 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 63' ' ' LYS . 51.0 tp -146.87 101.91 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.423 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 41.7 p-90 172.03 -178.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.37 145.54 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -41.96 8.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.086 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -82.13 -77.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -113.03 95.59 35.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.059 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.782 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.8 Cg_endo -66.35 123.17 10.81 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.473 2.115 . . . . 0.0 112.144 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 154.69 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.306 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.03 93.29 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.526 2.151 . . . . 0.0 112.149 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.91 146.51 23.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 30.3 mt -107.37 111.13 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -99.87 131.21 45.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.117 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.434 ' CB ' HG13 ' A' ' 62' ' ' ILE . 40.2 t -71.62 137.73 48.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.496 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.23 31.7 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.795 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -75.79 0.43 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.431 ' HB3' HG13 ' A' ' 81' ' ' VAL . 20.5 p -86.94 -10.65 52.74 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.416 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.58 89.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -151.78 133.04 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.516 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' HB2' HD23 ' A' ' 45' ' ' LEU . 5.0 mptt -101.96 146.08 28.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.587 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' HIS . 25.3 p -158.54 111.23 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.486 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.751 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -30.09 135.3 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.081 0.467 . . . . 0.0 112.238 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.56 41.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -45.52 46.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.795 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.1 m-70 -53.26 -49.96 65.81 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.018 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 42.1 tpp -62.61 -51.37 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.3 -28.96 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -92.46 -18.16 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.93 46.53 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.92 0.391 . . . . 0.0 110.741 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.11 123.1 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.6 -22.79 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.972 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.687 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.9 pt -47.96 -28.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.494 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.795 HD11 ' HB3' ' A' ' 68' ' ' HIS . 76.0 mt -75.27 130.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.731 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -111.78 165.31 13.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.013 0.435 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.731 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 32.7 Cg_endo -65.79 164.83 25.41 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.606 2.204 . . . . 0.0 112.52 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.596 ' SG ' HG22 ' A' ' 81' ' ' VAL . 5.8 t -65.02 146.28 55.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -40.84 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.683 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.596 HG22 ' SG ' ' A' ' 79' ' ' CYS . 35.0 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.756 0.312 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -141.49 117.95 10.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.957 0.408 . . . . 0.0 111.139 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.649 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.3 mp -75.88 110.83 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.14 138.77 38.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -157.91 -174.18 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -50.89 91.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.15 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.59 13.81 25.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.759 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.82 138.58 54.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.283 0.564 . . . . 0.0 112.251 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -126.33 76.7 1.63 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.797 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.536 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.9 m-85 -66.67 160.4 25.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.408 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.676 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.27 132.88 24.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.153 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.25 114.92 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.598 2.198 . . . . 0.0 112.678 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -154.57 163.66 39.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.449 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.5 mt -111.14 156.98 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.778 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 57.0 m-85 -136.14 117.02 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -91.02 -6.85 53.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.347 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 1.4 m-85 -110.9 171.39 4.38 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.709 0.29 . . . . 0.0 110.641 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 35.7 Cg_exo -61.58 96.84 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.854 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.689 HG23 ' HD3' ' A' ' 63' ' ' LYS . 13.3 m -110.15 128.02 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.924 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -94.02 116.03 28.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.396 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.77 164.75 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.973 179.36 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 -31.86 9.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.64 0.257 . . . . 0.0 111.515 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.804 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -63.13 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.639 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -81.29 -170.84 2.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.95 0.405 . . . . 0.0 111.171 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 mtt -112.08 43.61 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' CG ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -120.32 156.05 55.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 179.677 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 55.9 Cg_endo -70.16 141.12 42.81 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.502 2.135 . . . . 0.0 112.595 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.5 tt -118.74 108.19 14.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.46 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 38.6 p-90 172.09 175.87 0.09 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.911 0.386 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.4 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 178.98 121.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.65 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 49' ' ' PHE . 25.3 ptp -74.75 -44.6 48.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 48' ' ' MET . 98.0 m-85 -69.29 -69.72 0.32 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.132 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 27.6 mmtt -127.11 93.71 40.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.449 ' HG2' HD13 ' A' ' 31' ' ' LEU . 27.8 Cg_endo -62.82 120.09 7.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.492 2.128 . . . . 0.0 112.088 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 41.9 Cg_endo -67.66 154.78 72.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.579 2.186 . . . . 0.0 112.257 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.25 94.12 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.473 2.115 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.716 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.73 157.75 17.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD21 ' HD2' ' A' ' 66' ' ' LYS . 39.5 mt -118.57 115.95 25.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.1 tt0 -102.19 133.86 46.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.173 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.422 ' CB ' HG13 ' A' ' 62' ' ' ILE . 40.1 t -74.6 136.01 42.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.612 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.676 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -95.13 31.12 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.684 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.426 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.02 -78.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.6 p -83.82 -7.92 59.34 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.515 0.198 . . . . 0.0 111.343 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 13.1 m-70 67.72 91.01 0.09 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.966 0.412 . . . . 0.0 111.2 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.422 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -151.95 134.85 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.433 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.689 ' HD3' HG23 ' A' ' 36' ' ' THR . 3.2 mptt -102.79 145.57 29.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.67 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.2 m -155.91 125.54 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.136 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.826 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.81 135.17 7.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 111.19 -179.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.574 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.57 -30.86 22.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -50.82 -45.7 59.6 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.791 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.826 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.7 m-70 -53.86 -48.42 70.02 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.023 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.649 ' HG2' HG21 ' A' ' 20' ' ' ILE . 50.4 tpp -68.05 -47.9 67.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.992 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.51 -30.95 68.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.91 -17.61 29.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.6 38.22 4.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.42 141.63 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.9 42.7 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.804 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.1 pt -117.3 -19.73 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.452 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 68' ' ' HIS . 25.3 mt -77.7 138.63 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.053 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -114.08 163.56 18.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.5 Cg_endo -64.62 154.05 74.21 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.645 2.23 . . . . 0.0 112.162 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -55.24 146.39 19.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.709 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -93.07 -30.46 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.013 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 33.7 m . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -147.69 115.97 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.556 HG21 ' HE3' ' A' ' 69' ' ' MET . 3.6 mp -75.62 108.84 8.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.35 141.41 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.31 -172.41 3.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.666 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.1 ptpp? -53.71 89.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.181 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.19 12.8 39.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.594 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -124.12 138.82 54.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.139 0.495 . . . . 0.0 112.197 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.6 76.72 1.65 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.98 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.8 m-85 -66.87 160.51 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.281 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.609 HD11 ' HD3' ' A' ' 58' ' ' ARG . 3.9 mm -126.93 131.81 24.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.777 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.04 115.59 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.538 2.159 . . . . 0.0 112.487 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -156.89 168.36 27.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.6 mt -111.21 158.24 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.845 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 51.6 m-85 -135.98 115.01 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -20.05 28.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -102.73 161.05 24.38 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 13.2 Cg_endo -56.51 113.76 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.649 2.233 . . . . 0.0 112.423 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.686 HG23 ' CD ' ' A' ' 63' ' ' LYS . 1.2 m -124.83 126.34 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.156 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -84.25 121.21 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 150.17 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.212 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.37 -27.98 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.46 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 68' ' ' HIS . . . -70.13 -93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.52 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.0 p -78.5 171.6 14.87 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-O 120.899 0.381 . . . . 0.0 111.106 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mtt -79.78 -23.6 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 147.28 27.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 154.41 62.92 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.552 2.168 . . . . 0.0 112.596 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.656 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.9 tt -122.68 102.89 8.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 1.2 p-90 175.79 -177.28 0.12 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.88 132.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.511 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 mtm -85.2 -43.26 13.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -74.6 -75.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 2.6 mmtt -119.35 95.37 49.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.045 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HG2' HD13 ' A' ' 31' ' ' LEU . 28.3 Cg_endo -63.3 121.43 9.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.432 2.088 . . . . 0.0 112.022 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.83 158.05 59.01 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.29 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.28 94.0 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.172 . . . . 0.0 112.112 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.656 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.68 160.65 15.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 31.7 mt -122.9 116.14 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 14.6 tt0 -102.57 135.01 44.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.418 ' HB2' HG13 ' A' ' 62' ' ' ILE . 43.1 t -75.65 135.0 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.543 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 28' ' ' ILE . 2.2 ptt85 -94.8 30.52 2.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.47 -75.99 0.45 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.6 p -88.55 -4.87 58.5 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.505 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 5.2 m-70 66.17 91.79 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.383 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -152.0 134.6 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.297 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.686 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -101.54 147.26 26.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 0.0 111.741 -179.248 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.3 m -158.31 123.69 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.62 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.873 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.02 137.36 7.6 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.941 -179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HE3' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.7 -30.92 24.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.43 -45.13 62.5 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.644 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.873 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 15.1 m-70 -56.19 -43.28 78.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.897 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.556 ' HE3' HG21 ' A' ' 20' ' ' ILE . 37.5 tpp -70.55 -53.15 17.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -56.02 -30.0 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.038 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -89.74 -20.36 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.78 64.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 0.0 110.673 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -92.38 127.47 37.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -22.27 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.519 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 9.6 pt -48.97 -27.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.633 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 68' ' ' HIS . 39.5 mt -74.89 139.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -119.46 164.7 20.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 35.0 Cg_endo -66.56 157.22 61.78 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.56 2.174 . . . . 0.0 112.388 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.6 t -59.17 146.36 39.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -91.54 -46.89 7.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.722 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 32.7 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 111.482 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.696 0.284 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.75 115.94 10.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.44 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.3 mp -75.97 112.72 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -81.9 132.56 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.427 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 14.2 t-160 -164.59 109.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HG2' ' CD2' ' A' ' 22' ' ' HIS . 2.5 ptpt 30.43 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.64 11.48 35.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.701 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.83 131.99 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.327 0.564 . . . . 0.0 111.769 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.83 69.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.161 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 12.3 m-85 -59.12 160.23 6.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.978 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.8 mm -128.8 131.53 23.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.51 115.73 4.2 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.369 2.046 . . . . 0.0 112.483 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 t -156.51 164.68 37.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 61.1 mt -111.25 153.1 26.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.704 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.8 m-85 -128.93 112.18 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.435 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 6.1 m80 -82.02 -15.63 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.408 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.6 m-85 -106.46 170.82 5.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.778 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 29.6 Cg_exo -61.58 109.79 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.691 2.261 . . . . 0.0 112.526 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.783 HG23 ' CD ' ' A' ' 63' ' ' LYS . 2.7 m -120.26 122.76 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.033 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.29 113.62 22.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 151.42 43.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -29.0 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.61 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' A' ' 75' ' ' ILE . . . -67.81 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.503 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 p -80.39 -175.09 4.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 mmt -93.28 -23.23 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 147.97 10.55 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.97 149.16 58.72 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.58 2.187 . . . . 0.0 112.359 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.3 tt -124.5 105.38 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.797 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.442 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 53.5 p-90 168.97 -178.3 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.078 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.86 161.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.639 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 ptp -111.39 -51.23 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.76 -56.79 4.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -130.7 93.45 31.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.197 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.2 Cg_endo -67.02 125.27 13.35 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.546 2.164 . . . . 0.0 112.205 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.85 155.9 61.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.582 2.188 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' HD23 ' A' ' 31' ' ' LEU . 38.0 Cg_endo -66.52 95.22 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.143 . . . . 0.0 112.248 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -92.33 161.59 14.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 35.2 mt -122.37 118.3 28.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 tt0 -105.23 135.72 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.357 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.587 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 42.4 t -76.01 135.51 39.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.452 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' HG3' ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -96.53 29.35 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.587 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -135.58 -73.3 0.46 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' HG23 ' A' ' 62' ' ' ILE . 17.2 p -89.87 -5.4 56.86 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.496 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.81 88.84 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.981 0.42 . . . . 0.0 111.497 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.522 HG13 ' HB2' ' A' ' 57' ' ' CYS . 1.6 pt -149.08 137.99 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.783 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -105.22 147.28 28.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.128 0.49 . . . . 0.0 111.63 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.4 m -158.13 124.83 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.448 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.854 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.16 137.63 7.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.802 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.462 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -51.49 -30.88 21.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.009 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -45.94 64.57 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.745 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.854 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 14.2 m-70 -55.16 -43.13 73.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.868 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.44 ' HG2' HG21 ' A' ' 20' ' ' ILE . 17.3 tpp -70.65 -52.88 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.15 -32.99 64.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -85.77 -21.46 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? 64.11 40.53 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.13 145.98 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -87.64 46.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.2 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.578 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 6.3 pt -118.78 -30.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.297 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.824 HD11 ' HB3' ' A' ' 68' ' ' HIS . 17.9 mt -72.71 141.39 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -120.74 163.96 26.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.4 Cg_endo -64.43 156.49 60.05 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.597 2.198 . . . . 0.0 112.421 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.727 ' SG ' HG22 ' A' ' 81' ' ' VAL . 4.6 t -62.3 146.42 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -32.07 12.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.487 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.727 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.838 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.718 0.294 . . . . 0.0 110.742 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.89 118.2 21.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.566 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.83 111.19 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.991 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -81.44 135.57 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.3 t-80 -166.03 108.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.225 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 29.46 79.76 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 65.79 10.51 50.66 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.587 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.69 135.04 54.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.375 0.588 . . . . 0.0 112.054 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -124.13 71.06 1.11 Allowed 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 7.3 m-85 -62.59 160.29 14.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -128.78 133.17 24.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.049 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.5 Cg_endo -69.61 113.96 3.52 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.428 2.086 . . . . 0.0 112.382 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.407 HG23 ' CE2' ' A' ' 32' ' ' TYR . 10.1 t -154.72 165.94 34.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.945 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD13 ' HG2' ' A' ' 51' ' ' PRO . 70.4 mt -111.29 156.34 21.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.644 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 63.9 m-85 -135.41 106.46 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.191 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.424 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 2.2 m80 -81.75 -9.09 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 3.6 m-85 -107.08 168.38 8.11 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.708 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.14 102.72 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.759 2.306 . . . . 0.0 112.733 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.9 m -119.58 142.64 48.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -102.36 147.57 26.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 111.445 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -97.1 143.4 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.186 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.85 -36.46 25.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.38 -87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.298 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.94 -168.5 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -25.6 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 155.86 7.0 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.79 -167.89 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.497 2.131 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.498 HD23 ' HB2' ' A' ' 63' ' ' LYS . 31.7 tp -159.26 103.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 34' ' ' PHE . 56.0 p-90 170.8 179.33 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 130.36 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.3 mtm -83.79 -42.97 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.21 -74.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 16.6 mmtt -122.39 94.66 47.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HG2' HD13 ' A' ' 31' ' ' LEU . 27.8 Cg_endo -62.55 120.5 8.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.9 154.62 70.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.578 2.185 . . . . 0.0 112.192 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.91 95.33 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.555 2.17 . . . . 0.0 112.167 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.74 158.96 16.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.566 HD22 HD13 ' A' ' 20' ' ' ILE . 42.8 mt -117.77 110.18 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -97.99 130.22 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.434 ' CB ' HG13 ' A' ' 62' ' ' ILE . 44.7 t -73.89 136.4 43.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.567 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -95.52 30.42 2.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.43 -75.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.001 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 p -86.98 -7.92 57.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.413 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 68.52 88.54 0.11 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -150.88 133.57 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 179.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HB2' HD23 ' A' ' 45' ' ' LEU . 1.2 mptt -100.76 146.14 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.821 0.343 . . . . 0.0 111.259 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -157.51 118.18 3.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.78 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.73 132.93 0.86 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.927 0.394 . . . . 0.0 111.721 -179.712 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -51.7 -30.66 22.98 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.488 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.2 -46.29 45.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.688 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.78 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.4 m-70 -52.87 -47.73 67.62 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.898 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.7 tpp -67.02 -53.74 28.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -25.77 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -97.6 -14.9 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.422 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.07 74.13 0.46 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -102.33 125.17 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -57.56 -22.79 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.024 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.539 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.8 pt -49.46 -30.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.465 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.778 HD11 ' HB3' ' A' ' 68' ' ' HIS . 62.3 mt -72.34 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -116.25 163.81 20.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.261 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.691 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.1 Cg_endo -63.87 162.38 29.03 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.526 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.4 t -64.08 146.51 54.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -91.02 -39.24 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.554 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 ' SG ' ' A' ' 79' ' ' CYS . 31.9 m . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.412 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -138.01 118.42 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.092 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.81 109.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.588 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -77.94 140.65 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -159.51 -173.78 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -52.45 90.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.41 14.22 33.37 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.732 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -125.29 138.53 54.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.187 0.517 . . . . 0.0 112.254 -179.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.27 79.2 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.87 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.516 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.1 m-85 -70.39 160.24 32.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.396 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.7 mm -128.83 133.03 24.75 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.062 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 43.7 Cg_endo -68.45 113.77 3.24 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.55 2.167 . . . . 0.0 112.623 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -153.62 165.8 34.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 51' ' ' PRO . 83.8 mt -111.28 157.23 20.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.707 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.0 m-85 -136.94 118.14 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -87.97 -19.68 26.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -98.46 169.43 8.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.21 102.82 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.735 2.29 . . . . 0.0 112.293 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.667 HG23 ' CD ' ' A' ' 63' ' ' LYS . 1.3 m -112.13 123.28 49.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -85.45 114.91 22.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 151.1 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.249 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -30.53 26.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -66.33 -93.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.564 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.2 p -77.8 -179.15 5.8 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 111.101 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -25.99 21.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 145.87 18.53 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 148.35 61.86 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.579 2.186 . . . . 0.0 112.486 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.9 tt -115.74 104.24 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.723 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.437 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 174.64 179.21 0.12 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.909 0.385 . . . . 0.0 111.051 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.421 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER 178.04 127.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.652 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.0 mtm -80.58 -44.76 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.048 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -70.75 -73.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.36 94.65 47.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.0 Cg_endo -63.18 118.58 5.48 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.423 2.082 . . . . 0.0 112.109 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 51' ' ' PRO . 39.2 Cg_endo -66.69 153.9 76.35 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.558 2.172 . . . . 0.0 112.138 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.59 94.71 0.15 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.503 2.136 . . . . 0.0 112.066 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.59 164.13 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.531 HD21 ' HD2' ' A' ' 66' ' ' LYS . 36.3 mt -124.48 114.75 19.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -100.08 134.63 42.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.8 t -76.52 134.98 39.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.563 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -95.76 30.78 2.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -135.68 -77.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.7 p -86.28 -9.73 55.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.396 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 71.24 92.31 0.09 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 25' ' ' HIS . 1.7 pt -154.47 136.12 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.543 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.667 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -101.95 147.98 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.112 0.482 . . . . 0.0 111.634 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -158.31 123.05 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.48 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.863 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -46.3 136.76 6.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.968 0.413 . . . . 0.0 111.002 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HD2' HD21 ' A' ' 55' ' ' LEU . 2.9 tttm -51.69 -30.73 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.65 -46.51 58.44 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.644 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.863 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 15.5 m-70 -55.65 -42.77 75.5 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.853 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.9 tpp -70.71 -53.73 14.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.06 -30.57 62.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -90.92 -20.35 22.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.268 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 62.62 72.09 0.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.936 0.398 . . . . 0.0 110.632 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.27 126.07 43.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.49 -22.73 34.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.999 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' HB1' ' A' ' 40' ' ' ALA . 10.0 pt -49.86 -27.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.537 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 68' ' ' HIS . 41.0 mt -75.35 133.4 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.93 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -112.29 164.12 16.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.985 0.421 . . . . 0.0 111.174 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.711 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 35.7 Cg_endo -66.6 156.51 65.27 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.57 2.18 . . . . 0.0 112.383 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.3 t -57.83 146.28 32.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -89.89 -42.3 11.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.869 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.4 m . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 120.829 0.347 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -131.54 118.58 20.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.933 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.91 109.45 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.045 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.08 134.35 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 6.5 t60 -166.34 110.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.271 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 30.07 80.1 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.22 12.14 43.02 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.672 -0.775 . . . . 0.0 113.51 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.33 133.8 53.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.452 0.626 . . . . 0.0 111.99 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.08 72.64 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.239 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.5 m-85 -63.18 160.19 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.968 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.473 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.5 mm -129.1 132.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.238 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.52 112.62 2.89 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.509 2.14 . . . . 0.0 112.41 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -153.39 166.15 33.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.616 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.9 mt -111.22 156.36 21.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.456 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.6 m-85 -136.68 112.0 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 111.026 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -19.14 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.06 169.27 9.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.807 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.92 99.18 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.787 2.324 . . . . 0.0 112.591 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.0 m -114.14 138.09 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -99.3 139.6 34.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.387 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -86.83 141.17 29.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.363 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.53 -38.59 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.588 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -55.58 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.377 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 p -84.79 -168.03 2.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.0 mmt -98.56 -23.41 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 153.01 11.22 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.21 178.16 5.13 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.665 2.244 . . . . 0.0 112.4 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 63' ' ' LYS . 42.6 tp -148.44 104.73 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.445 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 51.3 p-90 169.27 -178.16 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.84 134.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.1 mtm -91.6 -31.47 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -85.5 -69.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -125.76 93.84 43.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.616 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.3 Cg_endo -63.3 120.98 8.63 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.516 2.144 . . . . 0.0 111.994 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.22 155.06 61.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.524 2.149 . . . . 0.0 112.28 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.03 94.16 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.473 2.115 . . . . 0.0 112.059 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.63 158.8 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 37.4 mt -119.08 109.79 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -98.19 131.17 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.286 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.431 ' CB ' HG13 ' A' ' 62' ' ' ILE . 43.6 t -74.27 136.0 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -96.2 30.44 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -134.19 -74.48 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.021 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -87.73 -14.1 40.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 76.07 89.41 0.08 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.372 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.431 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -153.19 134.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HB2' HD23 ' A' ' 45' ' ' LEU . 2.2 mptt -102.38 146.41 28.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.946 0.403 . . . . 0.0 111.389 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' HIS . 6.1 p -158.68 113.97 2.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.756 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.742 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.54 134.78 0.09 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 112.085 -179.586 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -53.46 -30.66 41.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -44.93 43.16 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.546 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.835 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -53.97 -48.34 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.974 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.1 tpp -63.65 -51.17 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.994 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -29.28 60.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -94.06 -18.42 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.93 61.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.511 ' OE1' HD13 ' A' ' 75' ' ' ILE . 7.4 mt-10 -87.52 121.77 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.996 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.98 -23.32 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.588 HG13 ' HB1' ' A' ' 40' ' ' ALA . 15.4 pt -48.62 -28.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.391 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.835 HD11 ' HB3' ' A' ' 68' ' ' HIS . 61.2 mt -77.11 122.65 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -104.57 164.23 15.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 27.7 Cg_endo -63.68 161.82 30.62 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.568 2.179 . . . . 0.0 112.371 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.2 t -60.86 145.53 49.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -89.98 -37.84 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.343 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.564 HG22 ' SG ' ' A' ' 79' ' ' CYS . 28.0 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.49 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.726 0.298 . . . . 0.0 110.625 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.22 117.54 17.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.493 HD13 HD22 ' A' ' 55' ' ' LEU . 3.6 mp -75.84 109.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.94 134.38 37.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.546 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 26.0 t-80 -165.81 109.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.251 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' HIS . 1.5 ptpt 29.28 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.87 12.34 35.07 Favored Glycine 0 C--N 1.328 0.109 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.508 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.59 135.57 53.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.374 0.587 . . . . 0.0 111.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.15 76.54 1.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.6 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 34.2 m-85 -65.61 160.48 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 4.2 mm -127.87 132.17 24.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.142 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.3 Cg_endo -69.54 115.53 4.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.487 2.125 . . . . 0.0 112.5 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -155.37 165.24 37.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.843 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.1 mt -111.32 158.49 18.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 69.9 m-85 -134.51 113.02 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -84.08 -15.25 48.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 5.8 m-85 -107.04 170.97 5.08 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.74 0.305 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 25.9 Cg_exo -62.9 104.1 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.669 2.246 . . . . 0.0 112.615 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.751 HG23 ' HD3' ' A' ' 63' ' ' LYS . 5.1 m -115.45 129.14 56.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.002 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -92.64 115.49 28.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.459 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 163.59 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.91 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.84 -34.48 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 111.347 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.688 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -63.3 -86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.512 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.8 p -80.22 -169.59 2.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.893 0.378 . . . . 0.0 111.178 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.3 mmt -99.33 -22.61 15.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.91 151.08 8.99 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.996 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.94 160.74 48.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.595 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 54' ' ' ALA . 4.2 tt -134.15 104.52 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 55.4 p-90 174.86 -178.39 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.41 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -179.12 148.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.594 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -96.82 -47.73 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.98 -75.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 25.8 mmtp -114.95 96.19 44.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.847 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.4 Cg_endo -64.53 123.44 11.74 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.475 2.117 . . . . 0.0 112.172 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 37.9 Cg_endo -66.59 153.76 76.83 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.48 2.12 . . . . 0.0 112.177 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.06 93.57 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.8 157.01 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.749 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 24.3 mt -120.92 121.46 38.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.977 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.9 tt0 -107.74 133.87 51.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.429 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.4 t -73.0 137.08 45.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.675 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.87 31.46 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.41 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.4 -75.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.791 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 21.0 p -87.85 -5.41 58.61 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.5 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 7.8 m-70 66.01 90.32 0.09 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.004 0.43 . . . . 0.0 111.029 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 25' ' ' HIS . 3.3 pt -148.92 131.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.535 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.751 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -98.0 146.86 25.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.357 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.9 m -158.15 123.21 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.837 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -48.14 136.16 12.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.892 0.377 . . . . 0.0 110.659 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.54 ' HD2' HD21 ' A' ' 55' ' ' LEU . 3.6 tttm -51.41 -30.65 20.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.9 -45.7 64.31 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.855 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.871 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -53.74 -50.34 66.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.142 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.6 tpp -62.53 -48.34 79.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -30.7 69.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -88.89 -21.5 23.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? 65.33 53.19 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.44 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.13 126.14 30.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.71 -23.08 39.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.688 HG13 ' HB1' ' A' ' 40' ' ' ALA . 10.1 pt -50.03 -27.28 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.505 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.871 HD11 ' HB3' ' A' ' 68' ' ' HIS . 53.5 mt -77.23 143.75 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.895 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -129.55 163.74 44.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.415 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.697 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 31.9 Cg_endo -65.14 166.46 18.82 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.777 2.318 . . . . 0.0 112.537 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.58 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -71.26 146.6 48.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -38.0 7.95 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.474 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.6 m . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.716 0.293 . . . . 0.0 111.412 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.84 0.352 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -135.4 117.2 15.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.41 HD13 HD22 ' A' ' 55' ' ' LEU . 4.3 mp -75.85 110.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.8 t -77.78 137.72 38.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.498 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 5.1 t-160 -167.02 105.33 0.57 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.108 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt 30.05 79.5 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.99 6.78 47.09 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.651 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -121.22 132.42 54.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.304 0.552 . . . . 0.0 111.713 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' HB2' ' NE ' ' A' ' 59' ' ' ARG . 15.5 mp0 -121.65 69.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 13.2 m-85 -57.36 160.48 3.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.08 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.747 HD11 ' HD2' ' A' ' 58' ' ' ARG . 3.8 mm -130.19 133.02 24.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.297 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.49 112.8 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.492 2.128 . . . . 0.0 112.275 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -153.62 165.36 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.81 HD13 ' HG2' ' A' ' 51' ' ' PRO . 64.0 mt -111.24 158.23 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 38.7 m-85 -132.4 121.27 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.725 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -90.92 -17.82 25.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.9 m-85 -105.21 171.52 4.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.711 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 23.5 Cg_exo -64.54 102.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.712 2.275 . . . . 0.0 112.644 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.83 HG23 ' HD3' ' A' ' 63' ' ' LYS . 3.0 m -113.89 123.86 50.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.066 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -90.02 116.71 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.569 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.9 156.46 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.191 179.681 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -36.42 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.267 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -59.08 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.3 p -81.12 -163.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.0 mtm -104.29 -24.73 13.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 156.4 0.67 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.758 0.313 . . . . 0.0 111.07 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 69.2 Cg_endo -74.75 154.99 44.16 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.602 2.201 . . . . 0.0 112.851 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -128.73 98.31 4.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.17 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 63.3 p-90 172.58 -178.75 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.994 0.426 . . . . 0.0 111.256 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.403 ' HB2' ' HD3' ' A' ' 52' ' ' PRO . 0.0 OUTLIER 174.06 132.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.508 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 mtm -83.26 -49.53 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -69.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -117.76 95.01 47.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.81 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -65.44 125.4 14.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.485 2.123 . . . . 0.0 112.199 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD3' ' HB2' ' A' ' 47' ' ' HIS . 57.4 Cg_endo -71.4 156.93 57.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.537 2.158 . . . . 0.0 112.181 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.57 92.42 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.459 2.106 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.744 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -93.61 146.75 23.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.393 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 66' ' ' LYS . 22.3 mt -106.45 118.81 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.34 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.3 tt0 -101.48 141.04 34.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.428 ' HB2' ' CG1' ' A' ' 62' ' ' ILE . 41.6 t -80.57 133.66 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.638 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.747 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -93.82 28.82 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 1.9 mpt_? -133.86 -78.63 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.1 p -81.47 -8.19 59.69 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.495 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 20.9 m170 68.42 87.92 0.12 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.05 0.452 . . . . 0.0 111.49 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.5 pt -143.21 -177.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.697 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.83 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -147.71 144.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.221 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.8 p -158.65 119.13 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.815 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -39.53 135.59 1.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.942 0.401 . . . . 0.0 111.393 -179.769 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.492 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.58 -30.7 21.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.17 -45.6 61.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.827 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.895 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.3 m-70 -53.38 -45.95 69.44 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.067 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.451 ' HE1' ' HB2' ' A' ' 22' ' ' HIS . 24.8 tpp -65.06 -53.52 44.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.08 -30.12 61.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.048 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -90.5 -21.95 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp 62.24 72.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.77 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -99.46 126.53 45.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.07 -23.57 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.951 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' HB1' ' A' ' 40' ' ' ALA . 12.4 pt -49.78 -27.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.43 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.895 HD11 ' HB3' ' A' ' 68' ' ' HIS . 57.5 mt -76.96 128.48 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -111.4 164.31 15.32 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 0.0 111.309 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 33.0 Cg_endo -65.45 168.33 14.83 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.9 t -70.44 146.56 50.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -91.9 -45.92 8.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 30.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.665 0.269 . . . . 0.0 111.492 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.732 0.301 . . . . 0.0 110.718 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.75 116.68 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.82 109.31 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.968 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.7 t -80.28 131.73 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 1.1 t60 -164.99 111.76 0.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 30.27 80.4 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.92 12.44 35.92 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.709 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.69 134.07 53.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.378 0.589 . . . . 0.0 111.916 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.4 73.47 1.18 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.33 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.6 m-85 -63.01 160.21 15.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.4 mm -128.65 130.83 23.49 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.5 Cg_endo -69.21 115.22 3.91 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.757 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 t -154.36 166.69 32.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.967 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.5 mt -111.18 158.89 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.6 m-85 -134.46 119.69 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 1.3 m80 -88.35 -17.28 30.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 2.0 p90 -108.69 167.9 8.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 33.8 Cg_exo -60.05 110.36 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.674 2.25 . . . . 0.0 112.547 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.832 HG23 ' HD3' ' A' ' 63' ' ' LYS . 1.5 m -118.46 126.81 52.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.992 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -87.82 117.27 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.4 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.16 155.47 40.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.07 179.295 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -91.95 -30.3 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.504 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.628 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -64.65 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.607 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.4 p -79.46 -166.8 1.03 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.6 ptp -101.83 -26.43 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.68 152.05 10.22 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.029 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.99 61.35 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.683 2.256 . . . . 0.0 112.522 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.6 tt -129.19 103.83 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.712 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.444 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 65.5 p-90 172.65 -177.0 0.06 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.114 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -178.07 136.57 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mtm -86.52 -40.39 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -83.25 -76.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -112.3 96.09 33.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.644 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -66.06 122.71 10.3 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.358 2.039 . . . . 0.0 112.19 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.4 158.67 56.57 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.524 2.149 . . . . 0.0 112.204 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.1 94.62 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.666 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.71 162.49 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 54' ' ' ALA . 31.2 mt -123.9 115.2 20.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 20.8 tt0 -102.34 134.17 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.406 ' HB2' HG13 ' A' ' 62' ' ' ILE . 41.6 t -75.76 135.57 40.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.526 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -95.18 30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.7 -76.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.908 179.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.0 p -86.64 -7.13 58.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.464 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.0 m80 68.15 90.75 0.09 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -151.05 133.94 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.562 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.832 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -100.75 147.01 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 0.0 111.523 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -158.29 123.92 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.764 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.853 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.46 136.71 9.51 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.957 0.408 . . . . 0.0 110.885 -179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.59 -30.88 22.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.101 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -45.35 63.29 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.734 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.886 ' HB3' HD11 ' A' ' 76' ' ' ILE . 14.3 m-70 -55.36 -42.64 74.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.946 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.5 tpp -67.01 -49.14 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -27.96 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -87.67 -19.08 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.387 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.99 51.1 2.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.627 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -79.45 124.52 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.966 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.33 -22.7 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.628 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.0 pt -49.99 -26.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.555 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.886 HD11 ' HB3' ' A' ' 68' ' ' HIS . 54.9 mt -77.57 134.27 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -119.39 163.76 25.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.342 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.8 Cg_endo -64.53 165.93 19.0 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.655 2.237 . . . . 0.0 112.463 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.578 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.1 t -68.71 146.51 52.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HD2' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -95.18 -42.88 8.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.685 -179.55 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.443 HG22 ' SG ' ' A' ' 79' ' ' CYS . 32.6 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 111.338 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.79 0.329 . . . . 0.0 110.73 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.44 120.22 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.655 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.9 mp -75.83 108.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.491 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 134.52 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -154.55 -176.81 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.744 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -50.46 91.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.194 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.23 14.54 26.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.799 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -126.54 136.79 53.04 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 112.104 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -124.99 82.99 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.94 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.5 m-85 -72.82 160.36 32.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.357 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.459 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.25 132.96 24.64 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.055 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 51.6 Cg_endo -69.75 116.32 4.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.487 2.125 . . . . 0.0 112.583 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -155.96 166.56 33.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.624 HD13 ' HG2' ' A' ' 51' ' ' PRO . 40.6 mt -111.23 157.46 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 55.3 m-85 -134.34 119.24 18.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -93.07 -12.83 29.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.022 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -106.07 161.46 22.76 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.629 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.489 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 15.4 Cg_endo -57.19 99.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.639 2.226 . . . . 0.0 112.748 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -111.93 129.42 56.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.058 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -96.08 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.312 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 159.23 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -35.49 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.544 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -57.84 -86.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.506 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -81.17 -168.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.062 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.71 43.4 2.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.178 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 157.5 45.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 56.0 Cg_endo -70.8 131.69 20.24 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.609 2.206 . . . . 0.0 112.588 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.9 tt -112.27 105.74 14.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.489 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 54.4 p-90 169.53 -178.32 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 110.997 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.41 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER 179.33 130.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.654 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ptp -79.01 -46.32 18.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -74.09 -73.26 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.372 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 23.7 mmtt -120.05 95.2 49.07 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.296 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HG2' HD13 ' A' ' 31' ' ' LEU . 32.6 Cg_endo -64.06 122.51 10.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.504 2.136 . . . . 0.0 112.081 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 42.9 Cg_endo -67.74 156.34 66.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.519 2.146 . . . . 0.0 112.274 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.59 93.19 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.501 2.134 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.74 159.74 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 33.5 mt -119.26 116.48 26.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.007 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 7.4 tt0 -101.49 134.33 44.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.211 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.409 ' CB ' HG13 ' A' ' 62' ' ' ILE . 38.6 t -75.13 134.83 41.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.478 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' CD ' HD11 ' A' ' 28' ' ' ILE . 5.5 ptm180 -95.21 32.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.5 -76.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.907 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.473 ' HB3' HG13 ' A' ' 81' ' ' VAL . 18.9 p -87.56 -7.97 56.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.495 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 69.68 92.63 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 0.0 111.238 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.0 pt -153.88 135.53 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 1.9 mptt -100.51 148.25 24.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.04 0.448 . . . . 0.0 111.552 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 33.5 m -158.15 121.46 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.825 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -44.5 135.55 4.69 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 111.075 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.39 -30.86 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.032 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.33 -45.92 62.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.869 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.825 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.8 m-70 -54.32 -49.91 68.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.029 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.655 ' HG2' HG21 ' A' ' 20' ' ' ILE . 49.4 tpp -63.55 -49.66 72.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -30.82 69.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -88.65 -20.97 24.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 64.51 58.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 0.0 110.734 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.65 125.95 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.14 -22.24 50.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.6 pt -49.52 -28.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.621 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 68' ' ' HIS . 46.4 mt -73.23 137.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.722 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -117.21 164.87 17.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.722 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 34.9 Cg_endo -66.53 156.77 63.9 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.573 2.182 . . . . 0.0 112.482 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 81' ' ' VAL . 7.2 t -58.86 142.15 51.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -86.52 -42.19 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.676 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.5 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.634 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.727 0.299 . . . . 0.0 110.501 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.51 116.82 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.74 110.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.065 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.53 133.84 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.485 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 40.1 t-80 -165.86 110.93 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.219 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt 30.14 80.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.4 12.25 38.23 Favored Glycine 0 C--O 1.23 -0.103 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.604 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -123.5 133.57 54.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.418 0.609 . . . . 0.0 111.937 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -122.48 72.37 1.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.6 m-85 -62.15 160.29 13.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.021 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.456 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.8 mm -128.75 131.93 24.05 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.13 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 55.4 Cg_endo -70.56 117.03 4.9 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.518 2.146 . . . . 0.0 112.625 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t -157.42 166.67 32.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.94 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' HG2' ' A' ' 51' ' ' PRO . 88.5 mt -111.23 159.02 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 58.8 m-85 -135.88 117.97 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.048 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 4.1 m170 -86.58 -20.6 27.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.8 m-85 -100.15 170.38 6.77 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 20.7 Cg_exo -65.95 105.91 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.845 2.363 . . . . 0.0 112.446 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.7 m -117.38 126.4 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.147 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -88.59 113.86 24.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 164.35 5.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.267 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -98.03 -36.86 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -57.54 -85.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.5 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.1 p -82.72 -171.94 3.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -93.96 -26.9 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 152.61 10.52 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.16 178.87 4.37 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.363 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.7 tt -147.93 102.2 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 177.46 179.28 0.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.11 0.481 . . . . 0.0 111.011 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.31 138.23 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 ptp -93.46 -44.15 8.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -73.01 -65.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -129.04 93.55 36.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.654 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.0 Cg_endo -64.37 126.65 17.39 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.416 2.077 . . . . 0.0 112.016 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.69 155.58 44.42 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.496 2.13 . . . . 0.0 112.368 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.36 95.64 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.526 2.15 . . . . 0.0 112.128 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.782 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.54 159.25 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.511 HD21 ' HD2' ' A' ' 66' ' ' LYS . 31.3 mt -119.29 111.51 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.8 tt0 -99.65 135.95 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.42 ' HB2' HG13 ' A' ' 62' ' ' ILE . 43.7 t -78.19 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.591 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' CD ' HD11 ' A' ' 28' ' ' ILE . 2.9 ptm180 -93.27 29.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -134.81 -76.0 0.46 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.968 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 18.4 p -88.35 -4.9 58.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.465 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.9 m80 66.85 92.26 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.091 0.472 . . . . 0.0 111.292 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.7 pt -153.83 132.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.381 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 5.1 mptt -102.73 147.18 27.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.817 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.2 p -158.39 122.05 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.531 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.821 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -43.05 136.53 2.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.43 -30.9 20.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -46.26 61.67 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.644 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.867 ' HB3' HD11 ' A' ' 76' ' ' ILE . 13.4 m-70 -54.35 -40.34 67.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.807 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 40.8 tpp -70.54 -53.2 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.04 -30.78 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -87.76 -22.0 24.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.97 73.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.389 . . . . 0.0 110.589 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.84 128.48 48.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.4 -23.0 35.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.988 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.626 HG13 ' HB1' ' A' ' 40' ' ' ALA . 11.6 pt -49.56 -27.31 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.419 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 68' ' ' HIS . 53.0 mt -79.62 135.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.935 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -120.11 164.6 21.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.189 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.2 Cg_endo -64.53 166.85 16.41 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.626 2.217 . . . . 0.0 112.391 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.586 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.7 t -69.35 146.26 52.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -92.7 -46.6 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.228 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 ' SG ' ' A' ' 79' ' ' CYS . 27.7 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.453 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -129.96 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.128 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.604 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.66 106.8 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.606 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.42 132.72 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -150.85 -168.02 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -53.24 90.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.27 14.37 25.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.774 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -125.11 139.01 54.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.285 0.564 . . . . 0.0 112.27 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 77.1 1.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.996 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.519 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.2 m-85 -68.07 160.49 28.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.316 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.521 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.6 mm -130.21 133.7 25.24 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.025 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.6 Cg_endo -69.09 113.79 3.38 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.445 2.096 . . . . 0.0 112.571 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -153.48 166.54 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.715 HD13 ' HG2' ' A' ' 51' ' ' PRO . 66.7 mt -111.32 157.4 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 m-85 -138.02 108.25 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -18.79 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.407 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 6.6 m-85 -99.88 170.54 6.62 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 21.3 Cg_exo -65.73 109.31 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.709 2.273 . . . . 0.0 112.551 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.7 m -120.57 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.939 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -88.06 113.36 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.426 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.7 155.97 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.041 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.24 -31.42 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.516 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -62.33 -88.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.5 p -79.59 -173.16 3.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.3 -25.74 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 149.9 28.09 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.28 163.85 37.17 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.524 2.149 . . . . 0.0 112.425 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.2 tt -132.51 103.52 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.41 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 9.0 p-90 175.79 -176.94 0.12 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.02 142.21 0.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.572 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -40.72 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -86.44 -78.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.323 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -110.39 96.9 28.99 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.12 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.715 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.7 Cg_endo -64.79 121.97 9.67 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.373 2.049 . . . . 0.0 112.081 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 155.83 68.66 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.153 . . . . 0.0 112.403 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.55 93.24 0.2 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.514 2.143 . . . . 0.0 112.176 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.669 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.71 160.42 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.011 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.604 HD22 HD13 ' A' ' 20' ' ' ILE . 38.8 mt -121.16 115.49 23.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.94 134.99 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.418 ' CB ' HG13 ' A' ' 62' ' ' ILE . 42.1 t -76.12 134.58 39.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.521 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -95.29 31.9 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.438 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -136.22 -76.5 0.43 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 p -85.47 -14.03 47.33 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.294 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.2 m170 76.09 89.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -154.19 135.29 5.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.658 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 5.5 mptt -100.74 150.2 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.023 0.44 . . . . 0.0 111.658 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 m -158.3 122.11 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.561 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.842 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.86 135.5 7.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -30.77 22.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -45.4 57.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.744 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.842 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.3 m-70 -54.73 -52.01 63.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.016 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.21 -48.2 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.54 -31.29 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -87.71 -16.04 35.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.293 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 64.37 59.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.969 0.414 . . . . 0.0 110.61 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -83.92 144.12 29.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.036 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -93.23 36.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.299 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.784 HG13 ' HB1' ' A' ' 40' ' ' ALA . 7.4 pt -110.24 -22.42 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.628 HD11 ' HB3' ' A' ' 68' ' ' HIS . 31.1 mt -76.87 124.63 35.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -98.9 163.62 18.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.112 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.697 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 28.5 Cg_endo -63.39 154.24 69.57 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.229 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 9.1 t -54.03 146.31 14.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.603 ' HE2' HG13 ' A' ' 81' ' ' VAL . 1.2 pttt -87.96 -35.65 17.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.58 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.603 HG13 ' HE2' ' A' ' 80' ' ' LYS . 33.4 m . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.696 0.284 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -105.26 98.28 8.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -133.29 31.13 3.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -140.86 99.78 3.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.37 133.27 87.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.21 -167.61 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.485 2.124 . . . . 0.0 112.303 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -121.63 49.64 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 t80 60.38 70.79 0.94 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.24 176.67 9.82 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.647 2.231 . . . . 0.0 112.407 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.55 115.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -96.2 100.1 6.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.3 -166.96 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.366 2.044 . . . . 0.0 112.371 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 13' ' ' VAL . 8.7 p -63.8 115.77 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.93 -19.32 47.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.819 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -54.69 -57.97 9.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.863 0.363 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.41 87.97 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -95.91 94.29 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.019 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 2.3 m-80 -78.75 174.68 11.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.624 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.416 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -135.52 119.76 17.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.055 0.455 . . . . 0.0 111.244 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.545 HD13 HD22 ' A' ' 55' ' ' LEU . 3.9 mp -75.83 105.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.558 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.4 135.7 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -155.07 -175.82 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.655 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.2 ptpp? -50.6 90.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.51 13.34 30.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.783 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -126.05 135.77 52.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.105 0.479 . . . . 0.0 112.084 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -123.55 78.41 1.59 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.481 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 3.3 m-85 -67.56 160.44 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.356 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.627 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -130.69 132.88 24.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.973 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 47.8 Cg_endo -69.07 114.5 3.61 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.328 2.019 . . . . 0.0 112.222 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -158.07 164.34 36.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.89 HD13 ' HG2' ' A' ' 51' ' ' PRO . 71.4 mt -111.34 157.75 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 10.3 m-85 -137.06 96.27 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -15.25 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -99.7 167.23 11.44 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.622 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.35 99.41 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.677 2.252 . . . . 0.0 112.519 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.724 HG23 ' HD3' ' A' ' 63' ' ' LYS . 29.3 m -113.09 137.04 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.0 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -100.63 134.48 43.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 111.705 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -75.99 147.18 39.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.881 179.259 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HG3' HG21 ' A' ' 62' ' ' ILE . 3.7 mm-40 -85.96 -34.74 20.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.416 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.706 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -62.0 -89.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.5 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.4 p -79.33 -168.01 1.38 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.748 0.309 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mmt -115.77 58.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.14 159.03 72.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.707 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.28 136.73 29.66 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.541 2.16 . . . . 0.0 112.613 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.835 HD21 ' HB1' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -117.93 103.87 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.597 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.431 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 56.1 p-90 167.95 -178.29 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.5 132.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.751 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.25 -40.97 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -81.61 -74.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -114.8 94.97 39.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.89 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -66.39 122.55 10.03 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.5 2.133 . . . . 0.0 112.133 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.72 151.08 63.3 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.471 2.114 . . . . 0.0 112.174 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.02 92.45 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.407 2.071 . . . . 0.0 111.79 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB1' HD21 ' A' ' 45' ' ' LEU . . . -90.69 143.34 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.667 HD21 ' HD2' ' A' ' 66' ' ' LYS . 37.7 mt -105.74 112.38 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.7 tt0 -97.9 139.76 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.116 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.7 t -80.6 134.79 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.652 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.627 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.29 30.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.76 -74.09 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.526 ' SG ' HG23 ' A' ' 62' ' ' ILE . 28.1 p -85.4 -7.37 58.98 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.508 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.3 m170 68.14 81.32 0.19 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.095 0.474 . . . . 0.0 111.308 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 pt -138.13 -174.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.724 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.2 OUTLIER -149.7 147.95 28.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.045 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -158.02 121.41 3.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.48 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.774 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -42.5 133.59 3.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.667 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.28 -30.52 18.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -50.83 -46.76 60.16 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.78 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.774 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 10.3 m-70 -51.33 -51.29 55.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.248 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.2 tpp -62.53 -46.73 87.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.965 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.06 -29.71 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -94.25 -19.54 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm 63.88 74.72 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.386 . . . . 0.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -101.45 127.53 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -22.44 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.706 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.0 pt -48.59 -34.49 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.584 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.586 HD11 ' HB3' ' A' ' 68' ' ' HIS . 43.8 mt -65.66 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.971 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -118.89 164.76 19.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 111.268 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.71 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 38.8 Cg_endo -68.97 157.58 61.31 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.655 2.237 . . . . 0.0 112.478 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.5 t -62.23 146.31 51.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.511 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -95.94 -40.49 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.829 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.541 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.3 m -62.55 -21.84 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.298 . . . . 0.0 111.498 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -87.26 53.71 2.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -179.3 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.8 t0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.708 0.29 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 60.72 96.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.25 171.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.33 103.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -83.13 128.07 66.56 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.32 148.42 61.41 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.375 2.05 . . . . 0.0 112.098 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mm-40 63.92 130.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -102.09 82.25 0.4 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 7' ' ' GLU . 36.7 Cg_endo -65.18 -174.32 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.607 2.204 . . . . 0.0 112.251 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 10' ' ' VAL . 8.7 p -71.14 100.24 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 4.4 mt-10 -85.79 114.28 56.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG3' ' HA ' ' A' ' 30' ' ' THR . 11.8 Cg_endo -57.42 171.38 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.515 2.143 . . . . 0.0 112.151 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 13' ' ' VAL . 5.0 t 58.3 28.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.168 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.08 -155.02 7.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -34.54 58.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.918 0.39 . . . . 0.0 111.048 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -110.1 127.42 54.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.0 m -162.42 114.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -60.1 174.44 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -146.31 118.5 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.146 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.449 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.84 105.59 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.559 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -77.97 137.34 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -156.1 -169.45 3.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -53.1 88.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.211 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.45 12.05 37.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.918 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.75 138.33 54.29 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.176 0.513 . . . . 0.0 112.203 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.87 77.77 1.75 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.987 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 2.7 m-85 -67.57 160.46 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.26 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.493 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -128.55 130.92 23.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.102 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.07 112.04 2.84 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.571 2.181 . . . . 0.0 112.186 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.536 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 7.2 t -156.93 170.39 22.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 0.0 111.454 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.829 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.2 mt -113.45 157.74 21.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.549 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.448 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 9.6 m-85 -134.58 107.37 7.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 3.3 m-70 -79.95 -5.94 56.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.339 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -110.69 169.33 6.44 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.4 106.55 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.784 2.323 . . . . 0.0 112.624 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.77 HG23 ' HD3' ' A' ' 63' ' ' LYS . 1.2 m -121.68 141.45 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.212 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.68 141.23 36.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.14 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -87.17 148.37 25.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.389 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.74 -38.45 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.65 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.329 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.79 -164.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.705 0.288 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.3 ptp -119.46 47.42 1.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.75 159.82 44.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.38 141.66 43.28 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.514 HD23 ' HB2' ' A' ' 63' ' ' LYS . 25.2 tp -121.8 101.02 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 169.61 -177.94 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.94 143.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -41.81 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.21 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.98 -78.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.168 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -112.13 95.56 30.65 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.242 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.829 ' HG2' HD13 ' A' ' 31' ' ' LEU . 38.1 Cg_endo -66.57 125.73 14.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.357 2.038 . . . . 0.0 112.238 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 156.41 56.43 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.497 2.131 . . . . 0.0 112.186 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.37 91.91 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.539 2.159 . . . . 0.0 112.09 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -90.8 139.15 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 26.0 mt -100.83 110.66 22.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.3 tt0 -97.3 139.94 32.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.402 ' CB ' ' CG1' ' A' ' 62' ' ' ILE . 41.1 t -80.78 134.27 35.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.574 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.493 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.1 30.79 1.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 3.7 mtt-85 -135.39 -73.52 0.46 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.501 ' SG ' HG23 ' A' ' 62' ' ' ILE . 25.1 p -86.72 -6.05 58.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.669 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 1.7 m-70 67.24 81.05 0.2 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.092 0.472 . . . . 0.0 111.326 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 3.9 pt -138.68 -179.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.757 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.77 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -148.18 145.56 28.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 111.267 179.743 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 65' ' ' HIS . 7.2 p -158.67 113.89 2.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.771 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.21 134.62 0.09 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 0.0 111.992 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.73 -30.65 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.661 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -47.03 51.15 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.573 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.771 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.6 m-70 -52.1 -52.96 48.11 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.038 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.4 tpp -63.42 -50.87 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.24 -28.63 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -94.91 -17.42 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.37 79.21 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.779 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -108.12 121.51 44.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.05 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.55 -22.77 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.557 HG13 ' HB1' ' A' ' 40' ' ' ALA . 19.5 pt -47.74 -28.58 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 68' ' ' HIS . 44.8 mt -72.8 129.75 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -108.44 164.89 13.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.9 Cg_endo -65.08 157.51 56.89 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.544 2.163 . . . . 0.0 112.457 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.4 t -58.02 146.38 32.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.664 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -88.12 -41.88 12.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.837 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.498 HG22 ' SG ' ' A' ' 79' ' ' CYS . 31.5 m -69.73 -8.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -47.15 -29.3 2.2 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.862 0.363 . . . . 0.0 111.228 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.38 -62.85 1.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.776 0.322 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.17 168.84 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.28 99.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? 60.7 111.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.97 141.28 81.49 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.804 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.72 -170.33 0.81 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.547 2.165 . . . . 0.0 112.34 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.49 91.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -108.79 92.5 10.56 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.44 -175.46 1.09 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.383 2.055 . . . . 0.0 112.228 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -91.7 149.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -83.38 110.03 21.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.82 175.82 9.14 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.397 2.065 . . . . 0.0 112.343 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' VAL . 29.6 m -63.33 105.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.83 -26.47 37.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.652 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.83 -35.06 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.03 102.58 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -146.98 103.83 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.6 174.51 0.76 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.401 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -133.65 117.33 16.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.962 0.411 . . . . 0.0 111.094 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.589 HD13 HD22 ' A' ' 55' ' ' LEU . 3.8 mp -75.86 111.1 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.895 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.13 134.64 35.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.455 ' CD2' ' HE1' ' A' ' 69' ' ' MET . 2.6 t60 -165.96 109.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 29.82 80.5 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.34 10.19 40.68 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.699 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.99 133.53 54.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.415 0.608 . . . . 0.0 112.014 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.29 70.99 0.99 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.223 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.8 m-85 -61.73 160.28 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.8 mm -128.47 133.45 25.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.56 114.77 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.372 2.048 . . . . 0.0 112.55 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -154.67 165.42 36.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.883 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 ' HG2' ' A' ' 51' ' ' PRO . 54.6 mt -115.05 152.81 31.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CE1' ' HG2' ' A' ' 63' ' ' LYS . 25.1 m-85 -131.16 110.59 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -80.82 -12.63 59.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.264 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 4.0 m-85 -104.94 170.56 5.85 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 34.6 Cg_exo -61.87 108.95 0.71 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.658 2.239 . . . . 0.0 112.572 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.3 m -122.95 128.67 50.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -94.63 111.86 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.223 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -56.4 155.09 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.172 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.34 -36.16 14.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.608 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -58.08 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.493 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.9 p -80.07 -165.66 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.717 0.294 . . . . 0.0 111.157 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 mtm -101.76 -26.22 13.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.336 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.13 153.57 4.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.24 169.18 20.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.597 2.198 . . . . 0.0 112.57 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.75 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.6 tt -144.34 105.27 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 172.94 -178.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 111.208 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 179.65 137.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.468 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 mtm -86.13 -37.76 18.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -87.78 -76.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -111.64 95.45 27.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 31' ' ' LEU . 40.9 Cg_endo -67.7 129.64 20.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.424 2.083 . . . . 0.0 112.004 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.9 151.56 56.82 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.496 2.13 . . . . 0.0 112.314 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.84 92.91 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.59 2.193 . . . . 0.0 112.265 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.75 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.87 158.12 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.747 HD21 ' HD2' ' A' ' 66' ' ' LYS . 43.3 mt -117.98 113.64 21.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.0 tt0 -100.5 131.3 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.265 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.417 ' CB ' HG13 ' A' ' 62' ' ' ILE . 43.5 t -73.72 135.93 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -94.82 29.68 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -134.55 -74.8 0.47 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.443 ' HB3' HG13 ' A' ' 81' ' ' VAL . 22.1 p -88.39 -6.5 57.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 3.0 m170 67.13 87.63 0.12 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.879 0.371 . . . . 0.0 111.364 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.494 HD11 ' HE1' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -148.94 134.35 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.27 179.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.05 143.96 34.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.019 0.438 . . . . 0.0 111.771 -179.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.6 m -155.19 129.8 9.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.022 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.789 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.91 133.98 8.25 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.995 0.426 . . . . 0.0 111.392 -179.353 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.747 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.71 -30.75 23.41 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -50.42 -46.17 56.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.819 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.789 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.1 m-70 -52.27 -52.55 52.12 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.019 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.455 ' HE1' ' CD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.14 -47.38 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -29.96 70.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -87.24 -15.92 36.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.65 39.0 6.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.42 144.48 56.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.44 43.16 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.246 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.608 HG13 ' HB1' ' A' ' 40' ' ' ALA . 7.6 pt -115.71 -27.35 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.383 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 ' HB3' ' A' ' 68' ' ' HIS . 19.9 mt -73.49 140.35 17.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.989 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -121.3 164.31 24.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.183 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.691 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 25.0 Cg_endo -62.35 158.16 41.85 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.549 2.166 . . . . 0.0 112.317 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -59.15 146.39 39.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -43.02 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.769 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.505 HG22 ' SG ' ' A' ' 79' ' ' CYS . 33.7 m -65.74 -14.94 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -51.18 -27.66 9.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -83.13 -62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.753 0.311 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -106.74 -34.16 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.3 108.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 105.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 147.88 94.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.71 -168.22 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.599 2.199 . . . . 0.0 112.402 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.66 101.32 4.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.786 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.7 t80 60.8 86.25 0.16 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.66 -175.73 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.588 2.192 . . . . 0.0 112.39 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 t -120.73 142.16 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.11 101.19 7.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.79 -167.63 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.44 2.093 . . . . 0.0 112.264 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.17 103.46 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.41 136.39 7.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.533 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.14 -60.49 3.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -77.07 90.94 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -96.6 118.85 33.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.423 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 4.0 m-20 -71.63 174.68 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.692 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -134.45 118.23 17.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 20' ' ' ILE . 4.1 mp -75.77 110.56 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -75.78 140.07 42.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -159.68 178.22 10.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.45 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.7 ptpp? -47.43 93.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 58.19 14.94 20.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.7 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.681 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -125.98 137.89 53.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.13 0.491 . . . . 0.0 112.105 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.04 77.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.732 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.2 m-85 -67.67 160.5 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.341 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.715 HD11 ' HD3' ' A' ' 58' ' ' ARG . 5.2 mm -129.75 133.76 25.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.096 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 55.6 Cg_endo -71.12 116.63 4.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.504 2.136 . . . . 0.0 112.549 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.46 163.86 39.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.884 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.668 HD13 ' HG2' ' A' ' 51' ' ' PRO . 62.0 mt -111.18 155.78 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.588 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.4 m-85 -137.5 96.61 3.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.206 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -68.8 -14.96 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 2.6 p90 -102.42 160.97 24.72 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.673 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 34' ' ' PHE . 17.8 Cg_endo -57.81 109.73 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.684 2.256 . . . . 0.0 112.574 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.796 HG23 ' HD3' ' A' ' 63' ' ' LYS . 2.8 m -121.88 132.93 54.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.957 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -94.39 114.33 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.382 . . . . 0.0 111.552 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 163.23 3.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.912 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.87 -34.94 10.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.506 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.786 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -60.8 -85.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.548 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.5 p -80.42 -167.6 1.4 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.91 0.386 . . . . 0.0 111.096 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.7 mmt -100.69 -25.42 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -53.17 154.2 5.83 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.75 171.34 15.74 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.598 2.199 . . . . 0.0 112.544 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.8 tt -143.07 100.57 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 177.88 -176.34 0.18 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.078 0.466 . . . . 0.0 111.205 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.03 140.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.527 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.2 mtm -88.42 -41.06 13.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.207 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -82.4 -77.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 28.0 mmtp -114.34 96.52 43.12 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.076 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.668 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.2 Cg_endo -63.22 122.97 11.37 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.35 2.033 . . . . 0.0 112.112 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.17 155.71 68.4 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.591 2.194 . . . . 0.0 112.185 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.05 93.74 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.538 2.159 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.772 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.48 157.09 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.538 HD21 ' HD2' ' A' ' 66' ' ' LYS . 39.0 mt -118.19 116.27 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.28 137.04 40.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 48.4 t -77.63 135.02 38.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.715 ' HD3' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -96.28 29.25 2.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.65 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.577 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -135.98 -73.47 0.45 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.15 -4.87 57.03 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.545 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m80 65.92 90.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 111.284 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.681 HD11 ' CE1' ' A' ' 25' ' ' HIS . 13.6 pt -151.7 138.61 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.329 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -103.57 147.74 26.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.989 0.424 . . . . 0.0 111.509 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 64.1 m -158.1 122.5 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.822 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -46.33 136.16 7.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.34 -30.84 19.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.038 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.64 -46.25 63.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.86 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.822 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 11.9 m-70 -53.49 -53.32 53.15 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.105 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.451 ' HA ' ' HE3' ' A' ' 69' ' ' MET . 0.0 OUTLIER -65.4 -44.59 87.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.891 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -30.59 69.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -92.18 -13.25 30.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.05 37.35 6.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.701 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.53 142.18 28.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.17 37.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.336 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.786 HG13 ' HB1' ' A' ' 40' ' ' ALA . 8.4 pt -112.13 -21.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.252 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.561 HD11 ' HB3' ' A' ' 68' ' ' HIS . 32.2 mt -76.72 148.94 6.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.707 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -124.33 164.01 32.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.058 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.3 Cg_endo -64.82 148.75 90.14 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.528 2.152 . . . . 0.0 112.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.619 ' SG ' HG22 ' A' ' 81' ' ' VAL . 6.1 t -54.65 146.43 16.71 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -40.71 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.44 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.619 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.8 m -65.24 -26.65 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.471 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -58.57 -30.29 67.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -87.58 -61.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.899 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.794 0.331 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 60.72 108.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -176.11 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.77 175.23 6.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.65 136.68 70.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.79 -177.2 2.71 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.469 2.113 . . . . 0.0 112.373 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.68 82.25 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 57.94 80.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.59 -167.65 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.547 2.165 . . . . 0.0 112.237 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p 42.78 93.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.553 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 2.0 pm0 -96.12 100.16 6.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 11' ' ' GLU . 36.6 Cg_endo -66.06 173.66 6.91 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.399 2.066 . . . . 0.0 112.184 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -93.75 119.8 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.186 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.98 127.92 4.61 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.551 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -61.23 -38.05 85.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -87.03 89.29 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -97.03 109.93 22.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.03 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.407 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -60.51 174.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.791 179.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -133.05 117.56 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.912 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.517 HD13 HD22 ' A' ' 55' ' ' LEU . 4.1 mp -75.85 110.07 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.048 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.17 134.54 36.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.469 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 13.8 t60 -166.45 110.75 0.78 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.26 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt 29.49 79.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 64.39 11.67 48.17 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.49 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.74 134.16 53.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.397 0.598 . . . . 0.0 112.084 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.2 71.32 1.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.0 m-85 -61.68 160.37 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.853 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.431 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.17 132.38 24.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.076 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 49.7 Cg_endo -69.64 114.67 3.76 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.48 2.12 . . . . 0.0 112.403 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 t -155.5 168.04 28.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.729 HD13 ' HG2' ' A' ' 51' ' ' PRO . 54.2 mt -111.27 157.29 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.685 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 49.3 m-85 -135.99 111.32 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 111.028 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -86.47 -12.78 48.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.393 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -105.99 165.44 13.04 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.16 103.1 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.768 2.312 . . . . 0.0 112.867 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 17.0 m -119.81 141.29 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.034 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -101.17 146.32 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -95.78 143.76 26.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.229 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.47 -37.05 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.66 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.1 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.343 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -81.89 -169.91 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.1 mmt -95.94 -24.42 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 156.13 7.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.36 -167.97 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD23 ' HB2' ' A' ' 63' ' ' LYS . 36.6 tp -160.57 104.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.722 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 170.5 176.61 0.06 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.91 127.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -82.32 -48.42 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.05 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.94 -73.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -121.81 93.77 48.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.01 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.729 ' HG2' HD13 ' A' ' 31' ' ' LEU . 36.8 Cg_endo -65.48 119.81 6.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.47 2.113 . . . . 0.0 112.111 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.32 154.83 71.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.583 2.188 . . . . 0.0 112.364 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.33 94.85 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.569 2.179 . . . . 0.0 112.055 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.55 158.11 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 20' ' ' ILE . 41.0 mt -117.15 109.47 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -97.23 133.25 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.178 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.1 t -76.77 134.99 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.631 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -94.8 29.3 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -134.58 -78.65 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.941 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.459 ' HB3' HG22 ' A' ' 81' ' ' VAL . 18.8 p -84.79 -7.9 59.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.289 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 36.2 m-70 69.19 94.43 0.07 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.941 0.4 . . . . 0.0 111.295 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 25' ' ' HIS . 1.8 pt -156.85 133.81 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.685 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' HB2' HD23 ' A' ' 45' ' ' LEU . 6.5 mptt -101.71 146.83 27.21 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.357 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.0 m -157.77 117.36 3.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.778 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.48 132.53 0.82 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.981 0.42 . . . . 0.0 111.779 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -30.65 23.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -49.11 -45.49 43.52 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.755 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.778 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 11.6 m-70 -53.52 -50.34 65.65 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.021 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.3 tpp -63.92 -49.56 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -29.91 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -90.1 -15.59 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.401 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 65.69 37.35 5.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.922 0.392 . . . . 0.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.37 141.08 43.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -91.71 41.4 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.66 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.5 pt -115.41 -32.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.096 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.717 HD11 ' HB3' ' A' ' 68' ' ' HIS . 37.3 mt -64.82 138.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.698 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -117.56 164.55 18.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.698 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 24.2 Cg_endo -62.37 159.02 37.54 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.598 2.198 . . . . 0.0 112.294 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.2 t -59.32 146.51 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.26 -41.47 14.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.385 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 82' ' ' TYR . 34.4 m -79.7 -49.32 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.647 0.26 . . . . 0.0 111.198 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.53 ' N ' HG23 ' A' ' 81' ' ' VAL . 32.6 t80 54.17 -81.73 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.415 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 81' ' ' VAL . 58.6 m-85 -61.49 -74.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.826 0.346 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -155.86 -46.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -60.4 174.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.29 108.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -83.22 149.53 58.79 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.73 128.97 11.3 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.573 2.182 . . . . 0.0 112.314 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -146.81 80.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -108.72 87.81 4.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.36 171.52 17.51 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.51 2.14 . . . . 0.0 112.344 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.6 p -111.54 111.79 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.89 106.59 14.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.11 -177.31 1.3 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.478 2.119 . . . . 0.0 112.224 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 13' ' ' VAL . 12.8 p -76.03 114.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.83 130.29 6.24 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.576 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -68.73 -53.69 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -83.46 103.06 12.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.59 119.46 32.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.83 174.57 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.696 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.68 118.41 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.513 HD13 HD22 ' A' ' 55' ' ' LEU . 3.9 mp -75.78 109.92 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.93 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -78.17 133.74 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 69.8 t60 -165.51 109.19 0.83 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' CG ' ' CD2' ' A' ' 22' ' ' HIS . 0.9 OUTLIER 30.05 79.85 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.79 10.89 40.74 Favored Glycine 0 CA--C 1.515 0.094 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.601 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.579 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -122.97 133.36 54.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.322 0.561 . . . . 0.0 111.871 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.67 71.99 1.0 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.282 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 9.6 m-85 -60.27 160.26 8.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.024 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.644 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.5 mm -129.87 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.157 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 114.1 3.49 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 C-N-CA 122.422 2.081 . . . . 0.0 112.434 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.6 t -155.1 166.18 34.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.823 HD13 ' HG2' ' A' ' 51' ' ' PRO . 70.1 mt -111.33 158.55 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 67.2 m-85 -135.38 111.99 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 53.4 m170 -83.56 -13.99 53.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -106.3 166.19 11.65 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 27.7 Cg_exo -62.25 103.25 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.778 2.319 . . . . 0.0 112.713 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 9.2 m -116.35 140.79 48.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.871 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -99.74 143.65 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 111.639 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 138.79 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -59.36 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.336 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.6 p -80.33 -166.15 1.0 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.854 0.359 . . . . 0.0 111.055 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtt -102.25 -23.93 13.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 150.84 7.02 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.41 165.91 28.96 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.525 2.15 . . . . 0.0 112.525 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 63' ' ' LYS . 35.6 tp -137.68 101.89 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 50.4 p-90 169.58 -178.28 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 111.059 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.69 151.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.589 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.04 -47.41 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -72.5 -71.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 25.6 mmtt -121.99 94.84 47.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.823 ' HG2' HD13 ' A' ' 31' ' ' LEU . 28.7 Cg_endo -63.18 126.74 18.5 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.422 2.081 . . . . 0.0 112.105 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.58 154.36 49.82 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.471 2.114 . . . . 0.0 112.281 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.46 91.78 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.373 2.049 . . . . 0.0 112.17 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -90.8 146.8 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.644 HD21 ' HD2' ' A' ' 66' ' ' LYS . 30.0 mt -108.48 115.32 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 111.227 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.0 134.83 43.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.983 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.402 ' HB2' HG13 ' A' ' 62' ' ' ILE . 36.8 t -74.61 137.0 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.721 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.644 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.05 32.64 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -138.53 -78.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 p -84.68 -10.26 57.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.357 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 71.89 93.26 0.08 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.943 0.401 . . . . 0.0 111.036 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.1 pt -155.32 132.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.5 ' HB2' HD23 ' A' ' 45' ' ' LEU . 1.5 mptt -100.25 146.74 26.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.926 0.393 . . . . 0.0 111.317 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 55.7 m -158.11 116.33 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.636 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.784 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.17 132.85 0.71 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.942 0.401 . . . . 0.0 111.786 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.644 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.7 -30.58 22.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.555 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -49.24 -46.64 46.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.742 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.828 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -52.3 -49.59 63.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.995 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.51 ' HE2' ' HB2' ' A' ' 69' ' ' MET . 30.7 tpp -63.65 -48.73 76.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.17 -31.02 68.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -89.34 -16.55 30.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 48.34 3.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.947 0.403 . . . . 0.0 110.802 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.53 142.99 56.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -90.35 43.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.175 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' HB1' ' A' ' 40' ' ' ALA . 8.6 pt -117.22 -37.01 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.828 HD11 ' HB3' ' A' ' 68' ' ' HIS . 28.7 mt -63.23 126.51 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.694 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -105.99 164.36 15.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.694 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 28.1 Cg_endo -63.55 159.38 40.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.613 2.209 . . . . 0.0 112.405 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 6.6 t -61.02 146.46 47.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.66 -47.39 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.456 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 35.8 m -63.86 -35.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.747 0.308 . . . . 0.0 111.326 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -62.66 -31.09 71.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -93.25 -71.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m 60.58 29.54 19.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt 58.17 171.08 0.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm 59.59 101.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -81.41 139.93 48.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.72 -177.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.481 2.12 . . . . 0.0 112.262 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.42 38.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.98 84.91 1.42 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.771 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.99 -176.42 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.622 2.214 . . . . 0.0 112.357 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG23 ' HD3' ' A' ' 16' ' ' LYS . 11.2 p -108.84 156.29 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' N ' HG22 ' A' ' 10' ' ' VAL . 5.6 pt-20 -96.34 97.68 3.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.1 161.53 26.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.415 2.077 . . . . 0.0 112.361 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' HA ' HG21 ' A' ' 28' ' ' ILE . 2.2 t 55.43 38.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.303 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.67 -125.95 2.54 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.46 -52.04 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.323 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HD3' HG23 ' A' ' 10' ' ' VAL . 15.5 mtpt -79.28 -165.26 0.74 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 m 64.87 139.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.76 174.46 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CB ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.68 118.27 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.87 110.99 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.26 132.8 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.2 t-80 -165.01 111.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.086 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt 30.09 79.9 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.92 12.15 34.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.641 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.8 133.69 54.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.256 0.528 . . . . 0.0 111.81 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -122.03 72.65 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.463 179.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 10.5 m-85 -61.52 160.27 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.484 HG21 ' HA ' ' A' ' 13' ' ' VAL . 3.2 mm -128.55 131.68 23.9 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.69 113.67 3.26 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.382 2.055 . . . . 0.0 112.195 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -156.89 165.87 34.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 51.9 mt -111.21 152.2 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 2.3 m-85 -128.12 108.79 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -10.02 59.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.218 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -108.07 166.74 10.39 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.702 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.448 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 26.4 Cg_exo -62.7 102.28 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.574 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -115.09 130.33 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.226 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -93.63 122.89 36.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.113 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 153.04 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.482 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -30.75 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.247 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.725 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -64.94 -91.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.673 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.8 -169.56 1.81 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.979 0.419 . . . . 0.0 111.271 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.6 mmt -97.45 -25.86 15.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 151.02 4.77 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.025 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 57.0 Cg_endo -71.18 156.63 59.08 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.564 2.176 . . . . 0.0 112.691 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 54' ' ' ALA . 1.0 OUTLIER -125.91 100.6 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.634 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.448 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 58.1 p-90 169.41 -179.65 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.31 126.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -79.24 -46.53 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.56 -68.59 0.42 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -126.22 93.53 43.19 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.054 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.464 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 35.8 Cg_endo -65.17 121.41 8.86 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.441 2.094 . . . . 0.0 112.057 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 157.59 57.69 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.479 2.119 . . . . 0.0 112.186 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HA ' HD23 ' A' ' 31' ' ' LEU . 33.4 Cg_endo -64.37 93.17 0.19 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.545 2.163 . . . . 0.0 112.157 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.695 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.94 152.65 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 21.0 mt -114.04 116.88 29.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.336 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 34.7 tt0 -103.67 138.97 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' CB ' HG13 ' A' ' 62' ' ' ILE . 34.7 t -77.69 135.25 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.427 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.43 32.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.33 -79.22 0.35 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 p -83.38 -8.85 59.34 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.564 0.221 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.58 92.44 0.08 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 pt -153.42 132.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' HG2' HG21 ' A' ' 36' ' ' THR . 0.1 OUTLIER -99.53 148.03 24.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.557 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.4 m -158.36 118.69 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.697 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.854 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -41.89 135.18 2.42 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.918 0.389 . . . . 0.0 111.122 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.6 -30.67 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.64 -45.77 58.02 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.771 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.875 ' HB3' HD11 ' A' ' 76' ' ' ILE . 13.6 m-70 -54.11 -47.22 72.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.072 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 25.8 tpp -66.25 -50.12 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -30.66 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.98 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -86.89 -19.29 29.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.44 49.87 3.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.84 147.33 45.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.39 39.14 1.02 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.224 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.725 HG13 ' HB1' ' A' ' 40' ' ' ALA . 5.4 pt -112.44 -28.06 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.18 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.875 HD11 ' HB3' ' A' ' 68' ' ' HIS . 27.9 mt -74.06 128.13 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.679 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -105.58 163.35 17.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.679 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 32.4 Cg_endo -65.65 164.84 25.04 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.672 2.248 . . . . 0.0 112.48 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -69.49 146.25 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -97.55 -43.12 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.536 HG22 ' SG ' ' A' ' 79' ' ' CYS . 28.6 m -59.86 -20.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.503 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.64 -37.62 51.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.253 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -85.74 -56.25 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.808 0.337 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t 60.36 110.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.58 114.7 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.39 155.84 39.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.95 148.03 97.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.44 169.59 20.85 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.666 2.244 . . . . 0.0 112.3 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -163.12 90.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.809 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -127.31 72.93 77.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.05 -172.56 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.516 2.144 . . . . 0.0 112.379 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 10' ' ' VAL . 3.1 p 42.53 86.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.72 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -79.89 118.61 73.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' HG3' ' HA ' ' A' ' 30' ' ' THR . 67.0 Cg_endo -73.08 174.41 12.06 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.541 2.16 . . . . 0.0 112.425 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 t 50.37 27.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.311 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.95 -139.44 6.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.545 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -74.45 -39.03 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.022 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -119.12 132.75 56.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.24 112.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.56 174.46 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.7 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.35 116.47 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.411 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.5 HD13 HD22 ' A' ' 55' ' ' LEU . 4.2 mp -75.68 109.44 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.81 132.92 37.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 52.0 t-80 -165.91 110.04 0.82 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.112 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt 30.58 80.45 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.73 12.11 39.72 Favored Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.618 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.88 133.06 53.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.4 0.6 . . . . 0.0 111.89 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.67 71.61 1.04 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.252 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 12.1 m-85 -60.72 160.3 9.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.886 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.496 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.4 mm -126.45 131.07 23.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.217 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 49.9 Cg_endo -69.84 110.48 2.58 Favored 'Trans proline' 0 CA--C 1.517 -0.336 0 C-N-CA 122.523 2.149 . . . . 0.0 112.133 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.488 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 7.7 t -153.89 171.66 18.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.782 HD13 ' HG2' ' A' ' 51' ' ' PRO . 56.9 mt -114.21 156.76 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HE2' ' A' ' 63' ' ' LYS . 1.6 m-85 -134.13 107.29 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -80.05 -18.51 49.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -99.49 169.89 7.53 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.752 0.311 . . . . 0.0 110.764 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.56 108.41 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.728 2.286 . . . . 0.0 112.546 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 6.0 m -124.25 139.87 53.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.066 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -97.41 143.06 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -91.33 149.5 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -87.31 -40.72 14.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -54.7 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.41 -166.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.6 mmt -102.6 -23.95 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -53.79 156.76 4.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 175.24 9.82 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.636 2.224 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 63' ' ' LYS . 51.0 tp -146.87 101.91 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.423 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 41.7 p-90 172.03 -178.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.37 145.54 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -41.96 8.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.086 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -82.13 -77.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -113.03 95.59 35.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.059 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.782 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.8 Cg_endo -66.35 123.17 10.81 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.473 2.115 . . . . 0.0 112.144 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 154.69 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.306 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.03 93.29 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.526 2.151 . . . . 0.0 112.149 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.91 146.51 23.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 30.3 mt -107.37 111.13 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -99.87 131.21 45.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.117 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.434 ' CB ' HG13 ' A' ' 62' ' ' ILE . 40.2 t -71.62 137.73 48.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.496 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.23 31.7 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.795 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -75.79 0.43 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.431 ' HB3' HG13 ' A' ' 81' ' ' VAL . 20.5 p -86.94 -10.65 52.74 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.416 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.58 89.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -151.78 133.04 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.516 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' HB2' HD23 ' A' ' 45' ' ' LEU . 5.0 mptt -101.96 146.08 28.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.587 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' HIS . 25.3 p -158.54 111.23 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.486 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.751 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -30.09 135.3 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.081 0.467 . . . . 0.0 112.238 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.56 41.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -45.52 46.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.795 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.1 m-70 -53.26 -49.96 65.81 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.018 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 42.1 tpp -62.61 -51.37 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.3 -28.96 57.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -92.46 -18.16 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.93 46.53 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.92 0.391 . . . . 0.0 110.741 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.11 123.1 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.6 -22.79 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.972 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.687 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.9 pt -47.96 -28.71 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.494 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.795 HD11 ' HB3' ' A' ' 68' ' ' HIS . 76.0 mt -75.27 130.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.731 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -111.78 165.31 13.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.013 0.435 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.731 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 32.7 Cg_endo -65.79 164.83 25.41 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.606 2.204 . . . . 0.0 112.52 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.596 ' SG ' HG22 ' A' ' 81' ' ' VAL . 5.8 t -65.02 146.28 55.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -40.84 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.683 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.596 HG22 ' SG ' ' A' ' 79' ' ' CYS . 35.0 m -61.73 -24.14 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -56.11 -30.99 62.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.024 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -99.07 -50.94 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.744 0.307 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -87.06 -69.8 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.05 128.05 33.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -111.69 170.93 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.99 138.84 97.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.27 125.58 19.34 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.499 2.133 . . . . 0.0 112.228 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -144.84 88.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 59.31 80.25 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.62 -169.33 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.567 2.178 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 10' ' ' VAL . 3.5 p 42.46 77.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.763 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.34 117.56 68.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.664 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.76 165.27 21.42 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.338 2.025 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.2 m -69.36 92.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.71 8.37 77.85 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.765 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.5 -32.38 58.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.761 0.315 . . . . 0.0 110.809 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -170.82 56.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.12 129.68 34.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -64.23 174.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -141.49 117.95 10.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.957 0.408 . . . . 0.0 111.139 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.649 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.3 mp -75.88 110.83 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.14 138.77 38.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -157.91 -174.18 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -50.89 91.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.15 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.59 13.81 25.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.759 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.82 138.58 54.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.283 0.564 . . . . 0.0 112.251 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -126.33 76.7 1.63 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.797 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.536 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.9 m-85 -66.67 160.4 25.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.408 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.676 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.27 132.88 24.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.153 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.25 114.92 3.78 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.598 2.198 . . . . 0.0 112.678 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -154.57 163.66 39.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.449 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.5 mt -111.14 156.98 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.778 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 57.0 m-85 -136.14 117.02 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -91.02 -6.85 53.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.347 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 1.4 m-85 -110.9 171.39 4.38 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.709 0.29 . . . . 0.0 110.641 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 35.7 Cg_exo -61.58 96.84 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.633 2.222 . . . . 0.0 112.854 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.689 HG23 ' HD3' ' A' ' 63' ' ' LYS . 13.3 m -110.15 128.02 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.924 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -94.02 116.03 28.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.396 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -60.77 164.75 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.973 179.36 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 -31.86 9.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.64 0.257 . . . . 0.0 111.515 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.804 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -63.13 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.639 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -81.29 -170.84 2.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.95 0.405 . . . . 0.0 111.171 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 mtt -112.08 43.61 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' CG ' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -120.32 156.05 55.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 179.677 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 55.9 Cg_endo -70.16 141.12 42.81 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.502 2.135 . . . . 0.0 112.595 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.5 tt -118.74 108.19 14.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.46 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 38.6 p-90 172.09 175.87 0.09 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.911 0.386 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.4 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 178.98 121.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.65 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 49' ' ' PHE . 25.3 ptp -74.75 -44.6 48.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 48' ' ' MET . 98.0 m-85 -69.29 -69.72 0.32 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.132 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 27.6 mmtt -127.11 93.71 40.91 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.449 ' HG2' HD13 ' A' ' 31' ' ' LEU . 27.8 Cg_endo -62.82 120.09 7.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.492 2.128 . . . . 0.0 112.088 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 41.9 Cg_endo -67.66 154.78 72.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.579 2.186 . . . . 0.0 112.257 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.25 94.12 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.473 2.115 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.716 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.73 157.75 17.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD21 ' HD2' ' A' ' 66' ' ' LYS . 39.5 mt -118.57 115.95 25.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.1 tt0 -102.19 133.86 46.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.173 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.422 ' CB ' HG13 ' A' ' 62' ' ' ILE . 40.1 t -74.6 136.01 42.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.612 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.676 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -95.13 31.12 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.684 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.426 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.02 -78.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.6 p -83.82 -7.92 59.34 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.515 0.198 . . . . 0.0 111.343 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 13.1 m-70 67.72 91.01 0.09 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.966 0.412 . . . . 0.0 111.2 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.422 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -151.95 134.85 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.433 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.689 ' HD3' HG23 ' A' ' 36' ' ' THR . 3.2 mptt -102.79 145.57 29.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.67 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.2 m -155.91 125.54 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.136 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.826 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.81 135.17 7.2 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 111.19 -179.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.574 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.57 -30.86 22.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -50.82 -45.7 59.6 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.791 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.826 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.7 m-70 -53.86 -48.42 70.02 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.023 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.649 ' HG2' HG21 ' A' ' 20' ' ' ILE . 50.4 tpp -68.05 -47.9 67.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.992 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.51 -30.95 68.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.91 -17.61 29.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.6 38.22 4.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.42 141.63 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.9 42.7 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.804 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.1 pt -117.3 -19.73 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.452 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 68' ' ' HIS . 25.3 mt -77.7 138.63 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.053 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -114.08 163.56 18.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.5 Cg_endo -64.62 154.05 74.21 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.645 2.23 . . . . 0.0 112.162 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 8.0 t -55.24 146.39 19.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.709 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -93.07 -30.46 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.013 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 33.7 m -87.08 12.8 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 83' ' ' TYR . 9.6 t80 -92.61 47.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -178.28 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.728 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -77.92 -42.5 32.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.31 110.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -150.08 145.4 26.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.17 150.61 74.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.54 163.26 29.72 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.649 2.233 . . . . 0.0 112.399 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.97 90.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -113.02 75.14 1.93 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.9 -168.12 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.61 2.207 . . . . 0.0 112.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.34 143.36 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.28 108.39 41.39 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.81 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.68 ' HG3' ' HA ' ' A' ' 30' ' ' THR . 57.0 Cg_endo -70.36 -174.6 1.06 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.786 2.324 . . . . 0.0 112.162 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 t 48.22 28.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.407 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.38 -160.53 10.25 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.553 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -76.45 -48.76 18.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.991 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -102.41 126.79 49.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.45 143.68 28.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.762 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -81.85 174.13 11.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.848 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -147.69 115.97 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.556 HG21 ' HE3' ' A' ' 69' ' ' MET . 3.6 mp -75.62 108.84 8.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.35 141.41 41.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.31 -172.41 3.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.666 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 1.1 ptpp? -53.71 89.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.181 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.19 12.8 39.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.796 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.594 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -124.12 138.82 54.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.139 0.495 . . . . 0.0 112.197 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.6 76.72 1.65 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.98 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.8 m-85 -66.87 160.51 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.281 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.609 HD11 ' HD3' ' A' ' 58' ' ' ARG . 3.9 mm -126.93 131.81 24.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.777 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.04 115.59 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.538 2.159 . . . . 0.0 112.487 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.68 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 9.2 t -156.89 168.36 27.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.6 mt -111.21 158.24 19.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.845 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 51.6 m-85 -135.98 115.01 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -20.05 28.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -102.73 161.05 24.38 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 13.2 Cg_endo -56.51 113.76 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.649 2.233 . . . . 0.0 112.423 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.686 HG23 ' CD ' ' A' ' 63' ' ' LYS . 1.2 m -124.83 126.34 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.156 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -84.25 121.21 27.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 150.17 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.212 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.37 -27.98 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.46 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 68' ' ' HIS . . . -70.13 -93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.52 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.0 p -78.5 171.6 14.87 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-O 120.899 0.381 . . . . 0.0 111.106 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mtt -79.78 -23.6 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 147.28 27.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 154.41 62.92 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.552 2.168 . . . . 0.0 112.596 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.656 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.9 tt -122.68 102.89 8.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.42 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 1.2 p-90 175.79 -177.28 0.12 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.88 132.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.511 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.7 mtm -85.2 -43.26 13.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -74.6 -75.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 2.6 mmtt -119.35 95.37 49.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.045 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HG2' HD13 ' A' ' 31' ' ' LEU . 28.3 Cg_endo -63.3 121.43 9.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.432 2.088 . . . . 0.0 112.022 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.83 158.05 59.01 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.29 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.28 94.0 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.172 . . . . 0.0 112.112 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.656 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.68 160.65 15.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 31.7 mt -122.9 116.14 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 14.6 tt0 -102.57 135.01 44.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.418 ' HB2' HG13 ' A' ' 62' ' ' ILE . 43.1 t -75.65 135.0 40.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.543 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 28' ' ' ILE . 2.2 ptt85 -94.8 30.52 2.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' NH2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -135.47 -75.99 0.45 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.6 p -88.55 -4.87 58.5 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.505 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 5.2 m-70 66.17 91.79 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.383 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -152.0 134.6 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.297 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.686 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -101.54 147.26 26.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 0.0 111.741 -179.248 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.3 m -158.31 123.69 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.62 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.873 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.02 137.36 7.6 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.941 -179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HE3' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.7 -30.92 24.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.43 -45.13 62.5 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.644 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.873 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 15.1 m-70 -56.19 -43.28 78.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.897 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.556 ' HE3' HG21 ' A' ' 20' ' ' ILE . 37.5 tpp -70.55 -53.15 17.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -56.02 -30.0 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.038 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -89.74 -20.36 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.78 64.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.018 0.437 . . . . 0.0 110.673 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -92.38 127.47 37.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -22.27 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.519 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 9.6 pt -48.97 -27.63 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.633 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 68' ' ' HIS . 39.5 mt -74.89 139.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -119.46 164.7 20.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 35.0 Cg_endo -66.56 157.22 61.78 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.56 2.174 . . . . 0.0 112.388 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.6 t -59.17 146.36 39.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -91.54 -46.89 7.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.722 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 32.7 m -64.0 -31.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 111.482 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.439 ' CE1' ' NH2' ' A' ' 59' ' ' ARG . 2.0 t80 -60.11 -29.34 68.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.013 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -106.1 -42.32 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.763 0.316 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 m 63.1 -79.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? 60.92 34.45 19.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -134.63 143.47 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.03 166.74 30.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.54 -172.77 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.541 2.161 . . . . 0.0 112.272 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -162.43 96.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -113.65 83.64 7.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.85 -174.81 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.564 2.176 . . . . 0.0 112.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 10' ' ' VAL . 12.0 p -116.68 110.93 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.51 115.01 62.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.85 167.94 16.43 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.342 2.028 . . . . 0.0 112.281 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 13' ' ' VAL . 12.5 p -65.5 118.87 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.28 -28.21 4.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -66.68 -43.36 84.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.1 80.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' ' CE1' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -111.0 121.7 46.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.39 174.4 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -139.75 115.94 10.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 111.048 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.44 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.3 mp -75.97 112.72 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -81.9 132.56 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.427 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 14.2 t-160 -164.59 109.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HG2' ' CD2' ' A' ' 22' ' ' HIS . 2.5 ptpt 30.43 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.64 11.48 35.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.701 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.83 131.99 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.327 0.564 . . . . 0.0 111.769 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.83 69.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.161 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 12.3 m-85 -59.12 160.23 6.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.978 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.8 mm -128.8 131.53 23.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.51 115.73 4.2 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.369 2.046 . . . . 0.0 112.483 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 t -156.51 164.68 37.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 51' ' ' PRO . 61.1 mt -111.25 153.1 26.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.704 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.8 m-85 -128.93 112.18 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' CE1' HG21 ' A' ' 10' ' ' VAL . 6.1 m80 -82.02 -15.63 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.6 m-85 -106.46 170.82 5.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.778 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 29.6 Cg_exo -61.58 109.79 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.691 2.261 . . . . 0.0 112.526 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.783 HG23 ' CD ' ' A' ' 63' ' ' LYS . 2.7 m -120.26 122.76 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.033 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.29 113.62 22.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 151.42 43.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.125 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -29.0 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.61 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' A' ' 75' ' ' ILE . . . -67.81 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.503 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 p -80.39 -175.09 4.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 mmt -93.28 -23.23 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 147.97 10.55 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.97 149.16 58.72 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.58 2.187 . . . . 0.0 112.359 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.3 tt -124.5 105.38 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.797 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.442 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 53.5 p-90 168.97 -178.3 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.078 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.86 161.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.639 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 ptp -111.39 -51.23 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -74.76 -56.79 4.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -130.7 93.45 31.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.197 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 41.2 Cg_endo -67.02 125.27 13.35 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.546 2.164 . . . . 0.0 112.205 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.85 155.9 61.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.582 2.188 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' HD23 ' A' ' 31' ' ' LEU . 38.0 Cg_endo -66.52 95.22 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.143 . . . . 0.0 112.248 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -92.33 161.59 14.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 35.2 mt -122.37 118.3 28.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 tt0 -105.23 135.72 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.357 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.587 ' SG ' ' HG2' ' A' ' 59' ' ' ARG . 42.4 t -76.01 135.51 39.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.452 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' HG3' ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -96.53 29.35 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.587 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -135.58 -73.3 0.46 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' HG23 ' A' ' 62' ' ' ILE . 17.2 p -89.87 -5.4 56.86 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.496 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.81 88.84 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.981 0.42 . . . . 0.0 111.497 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.522 HG13 ' HB2' ' A' ' 57' ' ' CYS . 1.6 pt -149.08 137.99 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.783 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -105.22 147.28 28.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.128 0.49 . . . . 0.0 111.63 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.4 m -158.13 124.83 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.448 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.854 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.16 137.63 7.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.802 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.462 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -51.49 -30.88 21.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.009 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -45.94 64.57 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.745 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.854 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 14.2 m-70 -55.16 -43.13 73.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.868 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.44 ' HG2' HG21 ' A' ' 20' ' ' ILE . 17.3 tpp -70.65 -52.88 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.15 -32.99 64.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -85.77 -21.46 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? 64.11 40.53 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.13 145.98 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -87.64 46.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.2 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.578 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 6.3 pt -118.78 -30.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.297 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.824 HD11 ' HB3' ' A' ' 68' ' ' HIS . 17.9 mt -72.71 141.39 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -120.74 163.96 26.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.4 Cg_endo -64.43 156.49 60.05 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.597 2.198 . . . . 0.0 112.421 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.727 ' SG ' HG22 ' A' ' 81' ' ' VAL . 4.6 t -62.3 146.42 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -32.07 12.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.487 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.727 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.9 m -68.29 -11.32 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.838 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.54 3.48 28.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.522 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -95.93 -40.83 9.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.761 0.315 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.747 0.308 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.75 96.48 10.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -136.37 151.66 49.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.87 165.27 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.47 155.63 74.37 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.795 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.89 118.09 5.36 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.516 2.144 . . . . 0.0 112.228 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.28 108.74 2.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.79 89.54 3.61 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.15 -172.9 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.479 2.119 . . . . 0.0 112.161 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.46 127.72 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -80.13 114.17 44.59 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.98 172.56 9.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.332 2.021 . . . . 0.0 112.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.2 m -92.14 135.76 26.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.86 106.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -66.13 -43.22 87.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.948 0.404 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -126.91 109.75 12.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.764 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.94 141.04 48.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -71.11 174.69 5.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.742 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.89 118.2 21.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.044 0.45 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.566 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.83 111.19 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.991 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -81.44 135.57 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 2.3 t-80 -166.03 108.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.225 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 29.46 79.76 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 65.79 10.51 50.66 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.587 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -122.69 135.04 54.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.375 0.588 . . . . 0.0 112.054 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -124.13 71.06 1.11 Allowed 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 7.3 m-85 -62.59 160.29 14.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.07 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mm -128.78 133.17 24.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.049 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.5 Cg_endo -69.61 113.96 3.52 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.428 2.086 . . . . 0.0 112.382 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.407 HG23 ' CE2' ' A' ' 32' ' ' TYR . 10.1 t -154.72 165.94 34.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.945 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD13 ' HG2' ' A' ' 51' ' ' PRO . 70.4 mt -111.29 156.34 21.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.644 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 63.9 m-85 -135.41 106.46 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.191 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.424 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 2.2 m80 -81.75 -9.09 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 46' ' ' TRP . 3.6 m-85 -107.08 168.38 8.11 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.708 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.14 102.72 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.759 2.306 . . . . 0.0 112.733 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.9 m -119.58 142.64 48.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -102.36 147.57 26.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 111.445 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -97.1 143.4 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.186 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.85 -36.46 25.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -56.38 -87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.298 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.94 -168.5 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -25.6 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 155.86 7.0 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.79 -167.89 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.497 2.131 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.498 HD23 ' HB2' ' A' ' 63' ' ' LYS . 31.7 tp -159.26 103.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 34' ' ' PHE . 56.0 p-90 170.8 179.33 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.35 130.36 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.3 mtm -83.79 -42.97 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.007 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.21 -74.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 16.6 mmtt -122.39 94.66 47.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HG2' HD13 ' A' ' 31' ' ' LEU . 27.8 Cg_endo -62.55 120.5 8.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.9 154.62 70.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.578 2.185 . . . . 0.0 112.192 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.91 95.33 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.555 2.17 . . . . 0.0 112.167 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.74 158.96 16.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD22 HD13 ' A' ' 20' ' ' ILE . 42.8 mt -117.77 110.18 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -97.99 130.22 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.434 ' CB ' HG13 ' A' ' 62' ' ' ILE . 44.7 t -73.89 136.4 43.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.567 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -95.52 30.42 2.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.43 -75.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.001 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 p -86.98 -7.92 57.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.413 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 68.52 88.54 0.11 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -150.88 133.57 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 179.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HB2' HD23 ' A' ' 45' ' ' LEU . 1.2 mptt -100.76 146.14 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.821 0.343 . . . . 0.0 111.259 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.9 m -157.51 118.18 3.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.627 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.78 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -37.73 132.93 0.86 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.927 0.394 . . . . 0.0 111.721 -179.712 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -51.7 -30.66 22.98 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.488 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.2 -46.29 45.51 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.688 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.78 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.4 m-70 -52.87 -47.73 67.62 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.898 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.7 tpp -67.02 -53.74 28.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -25.77 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -97.6 -14.9 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.422 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.07 74.13 0.46 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -102.33 125.17 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -57.56 -22.79 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.024 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.539 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.8 pt -49.46 -30.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.465 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.778 HD11 ' HB3' ' A' ' 68' ' ' HIS . 62.3 mt -72.34 132.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -116.25 163.81 20.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.261 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.691 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.1 Cg_endo -63.87 162.38 29.03 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.526 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.4 t -64.08 146.51 54.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -91.02 -39.24 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.554 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 ' SG ' ' A' ' 79' ' ' CYS . 31.9 m -74.52 -5.69 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -52.35 -29.56 24.42 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.708 0.29 . . . . 0.0 111.073 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -103.99 -35.47 8.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.896 0.379 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -115.0 137.63 51.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.94 98.79 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -164.08 106.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -81.71 148.97 63.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -78.5 137.61 14.82 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.659 2.24 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -144.43 100.82 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 59.14 89.49 0.11 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.22 179.99 2.58 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.512 2.142 . . . . 0.0 112.284 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.3 p -104.8 135.84 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.167 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -96.01 107.27 33.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.34 -178.96 1.63 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.376 2.051 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 m -76.15 125.24 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.21 123.56 5.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.88 -51.9 35.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.63 91.67 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -99.79 135.44 41.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.412 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -59.22 174.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -138.01 118.42 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.092 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.81 109.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.588 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -77.94 140.65 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -159.51 -173.78 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -52.45 90.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 60.41 14.22 33.37 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.732 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -125.29 138.53 54.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.187 0.517 . . . . 0.0 112.254 -179.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.27 79.2 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.87 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.516 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.1 m-85 -70.39 160.24 32.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.396 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.7 mm -128.83 133.03 24.75 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.062 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 43.7 Cg_endo -68.45 113.77 3.24 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.55 2.167 . . . . 0.0 112.623 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -153.62 165.8 34.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 51' ' ' PRO . 83.8 mt -111.28 157.23 20.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.707 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 55.0 m-85 -136.94 118.14 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -87.97 -19.68 26.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -98.46 169.43 8.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.21 102.82 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.735 2.29 . . . . 0.0 112.293 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.667 HG23 ' CD ' ' A' ' 63' ' ' LYS . 1.3 m -112.13 123.28 49.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -85.45 114.91 22.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 151.1 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.249 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -30.53 26.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -66.33 -93.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.564 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.2 p -77.8 -179.15 5.8 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 111.101 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -25.99 21.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 145.87 18.53 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.23 148.35 61.86 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.579 2.186 . . . . 0.0 112.486 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.9 tt -115.74 104.24 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.723 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.437 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 174.64 179.21 0.12 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.909 0.385 . . . . 0.0 111.051 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.421 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER 178.04 127.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.652 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.0 mtm -80.58 -44.76 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.048 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -70.75 -73.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.36 94.65 47.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.0 Cg_endo -63.18 118.58 5.48 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.423 2.082 . . . . 0.0 112.109 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 51' ' ' PRO . 39.2 Cg_endo -66.69 153.9 76.35 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.558 2.172 . . . . 0.0 112.138 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.59 94.71 0.15 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.503 2.136 . . . . 0.0 112.066 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.59 164.13 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.531 HD21 ' HD2' ' A' ' 66' ' ' LYS . 36.3 mt -124.48 114.75 19.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -100.08 134.63 42.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.8 t -76.52 134.98 39.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.563 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -95.76 30.78 2.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -135.68 -77.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.7 p -86.28 -9.73 55.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.396 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 71.24 92.31 0.09 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 25' ' ' HIS . 1.7 pt -154.47 136.12 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.543 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.667 ' CD ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -101.95 147.98 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.112 0.482 . . . . 0.0 111.634 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -158.31 123.05 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.48 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.863 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -46.3 136.76 6.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.968 0.413 . . . . 0.0 111.002 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HD2' HD21 ' A' ' 55' ' ' LEU . 2.9 tttm -51.69 -30.73 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.65 -46.51 58.44 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.644 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.863 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 15.5 m-70 -55.65 -42.77 75.5 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.853 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.9 tpp -70.71 -53.73 14.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.06 -30.57 62.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -90.92 -20.35 22.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.268 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt 62.62 72.09 0.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.936 0.398 . . . . 0.0 110.632 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.27 126.07 43.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.49 -22.73 34.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.999 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' HB1' ' A' ' 40' ' ' ALA . 10.0 pt -49.86 -27.06 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.537 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 68' ' ' HIS . 41.0 mt -75.35 133.4 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.93 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -112.29 164.12 16.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.985 0.421 . . . . 0.0 111.174 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.711 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 35.7 Cg_endo -66.6 156.51 65.27 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.57 2.18 . . . . 0.0 112.383 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.3 t -57.83 146.28 32.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.614 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -89.89 -42.3 11.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.869 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.4 m -67.31 -15.19 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -59.14 -30.83 68.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.99 -46.02 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.852 0.358 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 88.15 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -102.7 136.57 42.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 106.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.55 123.77 85.49 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.23 175.12 11.68 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.412 2.075 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 62.61 120.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.2 t80 59.26 87.86 0.13 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 10' ' ' VAL . 60.8 Cg_endo -72.75 171.77 16.65 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.526 2.15 . . . . 0.0 112.338 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.8 p 29.18 91.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.294 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -90.07 107.22 17.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.36 -173.24 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.413 2.075 . . . . 0.0 112.221 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 m -104.5 134.26 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.94 129.7 4.0 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.66 -49.54 77.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.794 0.33 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.96 130.19 49.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.754 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -127.96 124.68 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.36 174.54 8.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.696 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -131.54 118.58 20.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.933 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.91 109.45 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.045 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.08 134.35 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 6.5 t60 -166.34 110.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.271 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 30.07 80.1 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 63.22 12.14 43.02 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.672 -0.775 . . . . 0.0 113.51 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.33 133.8 53.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.452 0.626 . . . . 0.0 111.99 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.08 72.64 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.239 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.5 m-85 -63.18 160.19 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.968 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.473 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.5 mm -129.1 132.82 24.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.238 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.52 112.62 2.89 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.509 2.14 . . . . 0.0 112.41 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -153.39 166.15 33.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.616 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.9 mt -111.22 156.36 21.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.456 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 43.6 m-85 -136.68 112.0 9.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 111.026 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.9 -19.14 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.06 169.27 9.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.807 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.92 99.18 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.787 2.324 . . . . 0.0 112.591 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 18.0 m -114.14 138.09 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -99.3 139.6 34.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.387 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -86.83 141.17 29.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.363 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.53 -38.59 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.588 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -55.58 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.377 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 p -84.79 -168.03 2.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.0 mmt -98.56 -23.41 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 153.01 11.22 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.21 178.16 5.13 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.665 2.244 . . . . 0.0 112.4 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 63' ' ' LYS . 42.6 tp -148.44 104.73 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.445 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 51.3 p-90 169.27 -178.16 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.84 134.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.1 mtm -91.6 -31.47 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -85.5 -69.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -125.76 93.84 43.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.616 ' HG2' HD13 ' A' ' 31' ' ' LEU . 29.3 Cg_endo -63.3 120.98 8.63 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.516 2.144 . . . . 0.0 111.994 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.22 155.06 61.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.524 2.149 . . . . 0.0 112.28 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.03 94.16 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.473 2.115 . . . . 0.0 112.059 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.63 158.8 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 37.4 mt -119.08 109.79 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -98.19 131.17 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.286 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.431 ' CB ' HG13 ' A' ' 62' ' ' ILE . 43.6 t -74.27 136.0 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.576 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -96.2 30.44 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -134.19 -74.48 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.021 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -87.73 -14.1 40.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.401 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 76.07 89.41 0.08 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.372 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.431 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -153.19 134.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HB2' HD23 ' A' ' 45' ' ' LEU . 2.2 mptt -102.38 146.41 28.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.946 0.403 . . . . 0.0 111.389 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' HIS . 6.1 p -158.68 113.97 2.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.756 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.742 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -32.54 134.78 0.09 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 112.085 -179.586 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -53.46 -30.66 41.96 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -44.93 43.16 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.546 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.835 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -53.97 -48.34 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.974 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.1 tpp -63.65 -51.17 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.994 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -29.28 60.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -94.06 -18.42 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.93 61.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.511 ' OE1' HD13 ' A' ' 75' ' ' ILE . 7.4 mt-10 -87.52 121.77 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.996 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.98 -23.32 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.588 HG13 ' HB1' ' A' ' 40' ' ' ALA . 15.4 pt -48.62 -28.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.391 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.835 HD11 ' HB3' ' A' ' 68' ' ' HIS . 61.2 mt -77.11 122.65 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -104.57 164.23 15.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 27.7 Cg_endo -63.68 161.82 30.62 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.568 2.179 . . . . 0.0 112.371 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 7.2 t -60.86 145.53 49.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -89.98 -37.84 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.343 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.564 HG22 ' SG ' ' A' ' 79' ' ' CYS . 28.0 m -73.81 -11.93 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.49 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -96.37 37.02 1.29 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.901 0.381 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -147.89 -47.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.03 162.11 36.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 60.13 101.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 86.34 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.36 157.82 72.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.27 171.15 18.23 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.573 2.182 . . . . 0.0 112.333 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -178.08 114.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -126.38 83.18 64.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.1 -179.75 3.76 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.558 2.172 . . . . 0.0 112.236 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.2 t -109.86 115.42 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.22 101.37 8.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.95 179.63 3.14 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.401 2.067 . . . . 0.0 112.219 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.2 m -59.28 100.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.02 -21.68 75.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.608 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.97 -39.31 71.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.049 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -154.38 115.51 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.12 112.4 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -77.22 174.47 10.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.783 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.22 117.54 17.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.493 HD13 HD22 ' A' ' 55' ' ' LEU . 3.6 mp -75.84 109.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.94 134.38 37.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.546 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 26.0 t-80 -165.81 109.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.251 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' HIS . 1.5 ptpt 29.28 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.87 12.34 35.07 Favored Glycine 0 C--N 1.328 0.109 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.508 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -124.59 135.57 53.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.374 0.587 . . . . 0.0 111.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.15 76.54 1.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.6 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 34.2 m-85 -65.61 160.48 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 4.2 mm -127.87 132.17 24.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.142 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.3 Cg_endo -69.54 115.53 4.11 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.487 2.125 . . . . 0.0 112.5 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -155.37 165.24 37.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.843 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD13 ' HG2' ' A' ' 51' ' ' PRO . 81.1 mt -111.32 158.49 18.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 69.9 m-85 -134.51 113.02 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -84.08 -15.25 48.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 5.8 m-85 -107.04 170.97 5.08 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.74 0.305 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 25.9 Cg_exo -62.9 104.1 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.669 2.246 . . . . 0.0 112.615 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.751 HG23 ' HD3' ' A' ' 63' ' ' LYS . 5.1 m -115.45 129.14 56.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.002 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -92.64 115.49 28.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.459 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 163.59 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.91 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.84 -34.48 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 111.347 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.688 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -63.3 -86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.512 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.8 p -80.22 -169.59 2.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.893 0.378 . . . . 0.0 111.178 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.3 mmt -99.33 -22.61 15.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.91 151.08 8.99 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.996 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.94 160.74 48.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.595 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 54' ' ' ALA . 4.2 tt -134.15 104.52 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 55.4 p-90 174.86 -178.39 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.41 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -179.12 148.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.594 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -96.82 -47.73 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.98 -75.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 25.8 mmtp -114.95 96.19 44.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.029 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.847 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.4 Cg_endo -64.53 123.44 11.74 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.475 2.117 . . . . 0.0 112.172 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 37.9 Cg_endo -66.59 153.76 76.83 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.48 2.12 . . . . 0.0 112.177 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.06 93.57 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.423 2.082 . . . . 0.0 112.178 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.8 157.01 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.749 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 24.3 mt -120.92 121.46 38.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.977 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 4.9 tt0 -107.74 133.87 51.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.429 ' HB2' HG13 ' A' ' 62' ' ' ILE . 42.4 t -73.0 137.08 45.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.675 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.87 31.46 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.45 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -137.4 -75.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.791 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 21.0 p -87.85 -5.41 58.61 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.5 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 7.8 m-70 66.01 90.32 0.09 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.004 0.43 . . . . 0.0 111.029 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 25' ' ' HIS . 3.3 pt -148.92 131.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.535 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.751 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -98.0 146.86 25.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.357 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 47.9 m -158.15 123.21 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.837 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -48.14 136.16 12.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.892 0.377 . . . . 0.0 110.659 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.54 ' HD2' HD21 ' A' ' 55' ' ' LEU . 3.6 tttm -51.41 -30.65 20.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.9 -45.7 64.31 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.855 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.871 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.4 m-70 -53.74 -50.34 66.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.142 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 39.6 tpp -62.53 -48.34 79.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -30.7 69.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -88.89 -21.5 23.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? 65.33 53.19 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.44 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -79.13 126.14 30.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.71 -23.08 39.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.987 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.688 HG13 ' HB1' ' A' ' 40' ' ' ALA . 10.1 pt -50.03 -27.28 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.505 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.871 HD11 ' HB3' ' A' ' 68' ' ' HIS . 53.5 mt -77.23 143.75 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.895 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -129.55 163.74 44.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.415 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.697 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 31.9 Cg_endo -65.14 166.46 18.82 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.777 2.318 . . . . 0.0 112.537 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.58 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 4.6 t -71.26 146.6 48.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -38.0 7.95 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.474 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.6 m -61.99 -29.42 46.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.716 0.293 . . . . 0.0 111.412 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CE1' ' CZ ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -69.16 -26.99 65.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.095 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -93.56 -55.58 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.802 0.334 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -79.39 145.31 33.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -138.84 129.46 26.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -171.76 147.16 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.68 126.73 92.98 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 78.5 Cg_endo -78.16 139.6 17.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.408 2.072 . . . . 0.0 112.02 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.508 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 1.3 mp0 65.93 133.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.35 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -96.4 88.47 0.51 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.985 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 7' ' ' GLU . 24.5 Cg_endo -61.58 -166.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.425 2.083 . . . . 0.0 112.314 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 10' ' ' VAL . 7.7 p -123.23 78.91 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.066 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.51 114.04 21.39 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.03 -168.8 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.409 2.073 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 17' ' ' SER . 9.1 m -82.23 109.67 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.45 -29.91 9.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.55 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -33.21 72.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -165.57 112.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.638 ' HB3' HG23 ' A' ' 13' ' ' VAL . 9.2 p -135.89 130.14 33.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -84.61 174.41 10.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -135.4 117.2 15.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.41 HD13 HD22 ' A' ' 55' ' ' LEU . 4.3 mp -75.85 110.44 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.8 t -77.78 137.72 38.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.498 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 5.1 t-160 -167.02 105.33 0.57 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.108 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt 30.05 79.5 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.99 6.78 47.09 Favored Glycine 0 CA--C 1.517 0.19 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.651 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -121.22 132.42 54.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.304 0.552 . . . . 0.0 111.713 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' HB2' ' NE ' ' A' ' 59' ' ' ARG . 15.5 mp0 -121.65 69.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 13.2 m-85 -57.36 160.48 3.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.08 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.747 HD11 ' HD2' ' A' ' 58' ' ' ARG . 3.8 mm -130.19 133.02 24.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.297 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.49 112.8 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.492 2.128 . . . . 0.0 112.275 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -153.62 165.36 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.81 HD13 ' HG2' ' A' ' 51' ' ' PRO . 64.0 mt -111.24 158.23 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 38.7 m-85 -132.4 121.27 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.725 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -90.92 -17.82 25.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.9 m-85 -105.21 171.52 4.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.711 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 23.5 Cg_exo -64.54 102.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.712 2.275 . . . . 0.0 112.644 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.83 HG23 ' HD3' ' A' ' 63' ' ' LYS . 3.0 m -113.89 123.86 50.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.066 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -90.02 116.71 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.569 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.9 156.46 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.191 179.681 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -36.42 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.267 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -59.08 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.306 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.3 p -81.12 -163.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.0 mtm -104.29 -24.73 13.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 156.4 0.67 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.758 0.313 . . . . 0.0 111.07 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 69.2 Cg_endo -74.75 154.99 44.16 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.602 2.201 . . . . 0.0 112.851 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -128.73 98.31 4.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.17 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 63.3 p-90 172.58 -178.75 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.994 0.426 . . . . 0.0 111.256 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.403 ' HB2' ' HD3' ' A' ' 52' ' ' PRO . 0.0 OUTLIER 174.06 132.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.508 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 mtm -83.26 -49.53 9.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -69.3 -75.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -117.76 95.01 47.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.81 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -65.44 125.4 14.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.485 2.123 . . . . 0.0 112.199 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD3' ' HB2' ' A' ' 47' ' ' HIS . 57.4 Cg_endo -71.4 156.93 57.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.537 2.158 . . . . 0.0 112.181 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.57 92.42 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.459 2.106 . . . . 0.0 112.361 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.744 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -93.61 146.75 23.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.393 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 66' ' ' LYS . 22.3 mt -106.45 118.81 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.34 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 6.3 tt0 -101.48 141.04 34.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.428 ' HB2' ' CG1' ' A' ' 62' ' ' ILE . 41.6 t -80.57 133.66 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.638 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.747 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -93.82 28.82 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 1.9 mpt_? -133.86 -78.63 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.1 p -81.47 -8.19 59.69 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.495 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 20.9 m170 68.42 87.92 0.12 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.05 0.452 . . . . 0.0 111.49 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 2.5 pt -143.21 -177.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.697 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.83 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -147.71 144.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.221 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.8 p -158.65 119.13 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.815 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -39.53 135.59 1.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.942 0.401 . . . . 0.0 111.393 -179.769 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.492 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -51.58 -30.7 21.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.17 -45.6 61.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.827 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.895 ' HB3' HD11 ' A' ' 76' ' ' ILE . 12.3 m-70 -53.38 -45.95 69.44 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.067 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.451 ' HE1' ' HB2' ' A' ' 22' ' ' HIS . 24.8 tpp -65.06 -53.52 44.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.08 -30.12 61.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.048 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -90.5 -21.95 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp 62.24 72.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.77 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -99.46 126.53 45.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.07 -23.57 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.951 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' HB1' ' A' ' 40' ' ' ALA . 12.4 pt -49.78 -27.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.43 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.895 HD11 ' HB3' ' A' ' 68' ' ' HIS . 57.5 mt -76.96 128.48 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -111.4 164.31 15.32 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 0.0 111.309 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 33.0 Cg_endo -65.45 168.33 14.83 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.9 t -70.44 146.56 50.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -91.9 -45.92 8.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 59' ' ' ARG . 30.9 m -62.74 -26.35 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.665 0.269 . . . . 0.0 111.492 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -52.06 -27.77 15.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.78 -58.9 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.82 0.343 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.34 -65.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -72.07 176.6 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.79 178.21 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.69 149.63 68.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.87 122.12 7.9 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.559 2.173 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -166.71 114.18 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.401 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 16.8 p90 -121.41 93.86 48.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.75 -168.75 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.113 . . . . 0.0 112.32 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.837 HG11 ' HB3' ' A' ' 16' ' ' LYS . 10.9 p -73.09 136.06 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.26 111.13 3.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' CG ' ' HA ' ' A' ' 30' ' ' THR . 87.3 Cg_exo -44.64 174.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.939 2.426 . . . . 0.0 112.826 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 13' ' ' VAL . 16.0 t 64.35 32.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.04 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.71 -163.74 9.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -61.5 -52.66 63.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.837 ' HB3' HG11 ' A' ' 10' ' ' VAL . 6.3 tttt -80.19 111.15 16.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 m -167.43 146.2 4.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -101.82 174.53 5.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.75 116.68 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.82 109.31 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.968 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.7 t -80.28 131.73 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 1.1 t60 -164.99 111.76 0.98 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.131 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 30.27 80.4 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 61.92 12.44 35.92 Favored Glycine 0 C--O 1.229 -0.216 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.709 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -123.69 134.07 53.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.378 0.589 . . . . 0.0 111.916 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.4 73.47 1.18 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.33 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.6 m-85 -63.01 160.21 15.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 3.4 mm -128.65 130.83 23.49 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.5 Cg_endo -69.21 115.22 3.91 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.757 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.435 ' HA ' ' CG ' ' A' ' 12' ' ' PRO . 10.3 t -154.36 166.69 32.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.967 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.644 HD13 ' HG2' ' A' ' 51' ' ' PRO . 74.5 mt -111.18 158.89 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.6 m-85 -134.46 119.69 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 51' ' ' PRO . 1.3 m80 -88.35 -17.28 30.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 2.0 p90 -108.69 167.9 8.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HA ' ' CG ' ' A' ' 46' ' ' TRP . 33.8 Cg_exo -60.05 110.36 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.674 2.25 . . . . 0.0 112.547 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.832 HG23 ' HD3' ' A' ' 63' ' ' LYS . 1.5 m -118.46 126.81 52.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.992 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -87.82 117.27 26.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.4 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -69.16 155.47 40.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.07 179.295 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -91.95 -30.3 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.504 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.628 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -64.65 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.607 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.4 p -79.46 -166.8 1.03 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.6 ptp -101.83 -26.43 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.68 152.05 10.22 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.029 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.02 156.99 61.35 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.683 2.256 . . . . 0.0 112.522 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.6 tt -129.19 103.83 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.712 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.444 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 65.5 p-90 172.65 -177.0 0.06 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.114 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -178.07 136.57 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.661 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mtm -86.52 -40.39 15.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -83.25 -76.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -112.3 96.09 33.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.644 ' HG2' HD13 ' A' ' 31' ' ' LEU . 37.5 Cg_endo -66.06 122.71 10.3 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.358 2.039 . . . . 0.0 112.19 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.4 158.67 56.57 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.524 2.149 . . . . 0.0 112.204 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.1 94.62 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.666 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.71 162.49 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 54' ' ' ALA . 31.2 mt -123.9 115.2 20.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 20.8 tt0 -102.34 134.17 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' HB2' HG13 ' A' ' 62' ' ' ILE . 41.6 t -75.76 135.57 40.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.526 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -95.18 30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -135.7 -76.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.908 179.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 20.0 p -86.64 -7.13 58.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.464 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.0 m80 68.15 90.75 0.09 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.2 pt -151.05 133.94 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.562 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.832 ' HD3' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -100.75 147.01 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.039 0.447 . . . . 0.0 111.523 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.7 m -158.29 123.92 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.764 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.853 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -47.46 136.71 9.51 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.957 0.408 . . . . 0.0 110.885 -179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.59 -30.88 22.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.101 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -45.35 63.29 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.734 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.886 ' HB3' HD11 ' A' ' 76' ' ' ILE . 14.3 m-70 -55.36 -42.64 74.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.946 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.5 tpp -67.01 -49.14 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -27.96 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -87.67 -19.08 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.387 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.99 51.1 2.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.627 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -79.45 124.52 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.966 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.33 -22.7 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.628 HG13 ' HB1' ' A' ' 40' ' ' ALA . 9.0 pt -49.99 -26.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.555 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.886 HD11 ' HB3' ' A' ' 68' ' ' HIS . 54.9 mt -77.57 134.27 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -119.39 163.76 25.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.342 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 29.8 Cg_endo -64.53 165.93 19.0 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.655 2.237 . . . . 0.0 112.463 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.578 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.1 t -68.71 146.51 52.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HD2' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -95.18 -42.88 8.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.685 -179.55 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.443 HG22 ' SG ' ' A' ' 79' ' ' CYS . 32.6 m -64.06 -25.92 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 111.338 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -55.81 -30.29 61.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.045 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -75.44 -63.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.814 0.34 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -68.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.25 102.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.82 -178.09 5.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -63.39 129.49 93.61 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.19 165.76 28.96 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.421 2.08 . . . . 0.0 112.403 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -152.05 79.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.2 t80 61.21 76.09 0.42 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.54 178.78 5.26 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.552 2.168 . . . . 0.0 112.312 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 10' ' ' VAL . 11.8 p -136.1 112.72 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -94.48 112.35 57.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.72 -172.4 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.326 2.018 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 13' ' ' VAL . 13.5 p -75.86 122.15 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.05 127.32 6.06 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.601 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.21 -41.85 80.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.888 0.375 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -109.61 103.82 12.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.45 154.98 22.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -91.22 174.65 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.73 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.44 120.22 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.977 0.418 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.655 HG21 ' HG2' ' A' ' 69' ' ' MET . 4.9 mp -75.83 108.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.491 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 134.52 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -154.55 -176.81 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.744 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -50.46 91.55 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.194 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.23 14.54 26.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.799 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -126.54 136.79 53.04 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 112.104 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -124.99 82.99 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.94 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 5.5 m-85 -72.82 160.36 32.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.357 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.459 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.9 mm -129.25 132.96 24.64 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.055 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 51.6 Cg_endo -69.75 116.32 4.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.487 2.125 . . . . 0.0 112.583 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -155.96 166.56 33.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.624 HD13 ' HG2' ' A' ' 51' ' ' PRO . 40.6 mt -111.23 157.46 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.592 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 55.3 m-85 -134.34 119.24 18.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -93.07 -12.83 29.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.022 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -106.07 161.46 22.76 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.629 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.489 ' HA ' ' CD1' ' A' ' 46' ' ' TRP . 15.4 Cg_endo -57.19 99.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.639 2.226 . . . . 0.0 112.748 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 4.8 m -111.93 129.42 56.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.058 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -96.08 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.312 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 159.23 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -35.49 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.544 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -57.84 -86.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.506 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -81.17 -168.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.062 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.71 43.4 2.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.178 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 157.5 45.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HB2' ' NE1' ' A' ' 46' ' ' TRP . 56.0 Cg_endo -70.8 131.69 20.24 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.609 2.206 . . . . 0.0 112.588 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.9 tt -112.27 105.74 14.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.489 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 54.4 p-90 169.53 -178.32 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 110.997 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.41 ' HB2' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER 179.33 130.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.654 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ptp -79.01 -46.32 18.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -74.09 -73.26 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.372 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 23.7 mmtt -120.05 95.2 49.07 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.296 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HG2' HD13 ' A' ' 31' ' ' LEU . 32.6 Cg_endo -64.06 122.51 10.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.504 2.136 . . . . 0.0 112.081 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CD ' ' HB2' ' A' ' 47' ' ' HIS . 42.9 Cg_endo -67.74 156.34 66.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.519 2.146 . . . . 0.0 112.274 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.59 93.19 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.501 2.134 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.74 159.74 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 33.5 mt -119.26 116.48 26.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.007 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 7.4 tt0 -101.49 134.33 44.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.211 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.409 ' CB ' HG13 ' A' ' 62' ' ' ILE . 38.6 t -75.13 134.83 41.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.478 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' CD ' HD11 ' A' ' 28' ' ' ILE . 5.5 ptm180 -95.21 32.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -137.5 -76.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.907 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.473 ' HB3' HG13 ' A' ' 81' ' ' VAL . 18.9 p -87.56 -7.97 56.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.495 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 69.68 92.63 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.045 0.45 . . . . 0.0 111.238 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.0 pt -153.88 135.53 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 1.9 mptt -100.51 148.25 24.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.04 0.448 . . . . 0.0 111.552 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 33.5 m -158.15 121.46 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.825 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -44.5 135.55 4.69 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 111.075 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.39 -30.86 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.032 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.33 -45.92 62.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.869 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.825 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 12.8 m-70 -54.32 -49.91 68.58 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.029 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.655 ' HG2' HG21 ' A' ' 20' ' ' ILE . 49.4 tpp -63.55 -49.66 72.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -30.82 69.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -88.65 -20.97 24.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? 64.51 58.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 0.0 110.734 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.65 125.95 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.14 -22.24 50.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.576 HG13 ' HB1' ' A' ' 40' ' ' ALA . 14.6 pt -49.52 -28.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.621 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 68' ' ' HIS . 46.4 mt -73.23 137.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.722 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -117.21 164.87 17.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.722 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 34.9 Cg_endo -66.53 156.77 63.9 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.573 2.182 . . . . 0.0 112.482 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 81' ' ' VAL . 7.2 t -58.86 142.15 51.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -86.52 -42.19 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.676 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 79' ' ' CYS . 34.5 m -62.95 -16.66 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.634 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -49.49 -30.15 7.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.875 0.369 . . . . 0.0 111.214 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -87.17 -57.85 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.72 0.295 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -141.75 -46.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 mttm 61.41 108.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 149.76 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -72.8 156.06 90.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.6 118.73 5.81 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.558 2.172 . . . . 0.0 112.074 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.57 122.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.753 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -103.18 92.41 3.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.03 173.95 12.07 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.545 2.163 . . . . 0.0 112.376 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.448 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 23.4 t -128.5 87.13 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -76.47 108.44 6.35 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 10' ' ' VAL . 57.0 Cg_endo -70.27 178.65 4.67 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.48 2.12 . . . . 0.0 112.361 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.573 HG12 ' H ' ' A' ' 16' ' ' LYS . 13.9 t 55.35 79.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.33 -28.05 63.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.576 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.12 -60.54 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.573 ' H ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -168.5 103.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.72 112.22 24.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -73.37 174.69 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.619 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.51 116.82 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.74 110.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.065 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.53 133.84 35.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.485 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 40.1 t-80 -165.86 110.93 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.219 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt 30.14 80.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 62.4 12.25 38.23 Favored Glycine 0 C--O 1.23 -0.103 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.604 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -123.5 133.57 54.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.418 0.609 . . . . 0.0 111.937 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -122.48 72.37 1.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 8.6 m-85 -62.15 160.29 13.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.021 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.456 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.8 mm -128.75 131.93 24.05 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.13 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 55.4 Cg_endo -70.56 117.03 4.9 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.518 2.146 . . . . 0.0 112.625 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t -157.42 166.67 32.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.94 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' HG2' ' A' ' 51' ' ' PRO . 88.5 mt -111.23 159.02 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 63' ' ' LYS . 58.8 m-85 -135.88 117.97 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.048 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 4.1 m170 -86.58 -20.6 27.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 2.8 m-85 -100.15 170.38 6.77 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 20.7 Cg_exo -65.95 105.91 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.845 2.363 . . . . 0.0 112.446 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.7 m -117.38 126.4 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.147 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -88.59 113.86 24.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 164.35 5.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.267 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -98.03 -36.86 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -57.54 -85.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.5 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.1 p -82.72 -171.94 3.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -93.96 -26.9 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 152.61 10.52 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.16 178.87 4.37 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.363 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.7 tt -147.93 102.2 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 177.46 179.28 0.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.11 0.481 . . . . 0.0 111.011 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.31 138.23 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 ptp -93.46 -44.15 8.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -73.01 -65.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -129.04 93.55 36.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.97 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.654 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.0 Cg_endo -64.37 126.65 17.39 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.416 2.077 . . . . 0.0 112.016 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.69 155.58 44.42 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.496 2.13 . . . . 0.0 112.368 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.36 95.64 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.526 2.15 . . . . 0.0 112.128 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.782 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.54 159.25 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.511 HD21 ' HD2' ' A' ' 66' ' ' LYS . 31.3 mt -119.29 111.51 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' ILE . 2.8 tt0 -99.65 135.95 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.42 ' HB2' HG13 ' A' ' 62' ' ' ILE . 43.7 t -78.19 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.591 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' CD ' HD11 ' A' ' 28' ' ' ILE . 2.9 ptm180 -93.27 29.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -134.81 -76.0 0.46 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.968 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 18.4 p -88.35 -4.9 58.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.465 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 60' ' ' CYS . 25.9 m80 66.85 92.26 0.08 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.091 0.472 . . . . 0.0 111.292 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 25' ' ' HIS . 2.7 pt -153.83 132.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.381 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 5.1 mptt -102.73 147.18 27.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.817 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.2 p -158.39 122.05 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.531 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.821 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -43.05 136.53 2.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HD2' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -51.43 -30.9 20.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -46.26 61.67 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.644 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.867 ' HB3' HD11 ' A' ' 76' ' ' ILE . 13.4 m-70 -54.35 -40.34 67.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.807 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 40.8 tpp -70.54 -53.2 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.04 -30.78 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -87.76 -22.0 24.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.97 73.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.389 . . . . 0.0 110.589 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.84 128.48 48.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -56.4 -23.0 35.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.988 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.626 HG13 ' HB1' ' A' ' 40' ' ' ALA . 11.6 pt -49.56 -27.31 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.419 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.867 HD11 ' HB3' ' A' ' 68' ' ' HIS . 53.0 mt -79.62 135.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.935 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -120.11 164.6 21.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.189 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 30.2 Cg_endo -64.53 166.85 16.41 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.626 2.217 . . . . 0.0 112.391 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.586 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 5.7 t -69.35 146.26 52.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -92.7 -46.6 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.228 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 ' SG ' ' A' ' 79' ' ' CYS . 27.7 m -60.96 -22.78 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -52.61 -30.23 30.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.114 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.53 -46.14 14.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.737 0.303 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -128.68 98.82 5.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.0 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.98 136.72 54.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 153.11 45.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.29 137.77 86.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.03 -174.38 1.92 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.484 2.123 . . . . 0.0 112.385 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 60.78 83.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.8 t80 59.49 79.12 0.31 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.93 176.28 8.56 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.505 2.136 . . . . 0.0 112.251 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.41 108.68 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -96.09 106.44 28.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.97 -168.15 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.353 2.036 . . . . 0.0 112.318 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.22 114.21 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.202 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.15 131.64 4.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.597 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -39.18 87.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.22 130.23 46.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.06 126.72 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.061 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.453 ' O ' ' HD2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -64.92 174.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.743 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -129.96 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.128 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.604 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mp -75.66 106.8 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.606 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.42 132.72 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -150.85 -168.02 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -53.24 90.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.108 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 79' ' ' CYS . . . 59.27 14.37 25.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.774 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 79' ' ' CYS . 0.0 OUTLIER -125.11 139.01 54.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.285 0.564 . . . . 0.0 112.27 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 77.1 1.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.996 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.519 ' HB3' ' HB3' ' A' ' 55' ' ' LEU . 6.2 m-85 -68.07 160.49 28.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.316 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.521 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.6 mm -130.21 133.7 25.24 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.025 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' ASN . 48.6 Cg_endo -69.09 113.79 3.38 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.445 2.096 . . . . 0.0 112.571 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -153.48 166.54 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.715 HD13 ' HG2' ' A' ' 51' ' ' PRO . 66.7 mt -111.32 157.4 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 m-85 -138.02 108.25 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -18.79 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.407 ' HB3' ' CD ' ' A' ' 35' ' ' PRO . 6.6 m-85 -99.88 170.54 6.62 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' ' 34' ' ' PHE . 21.3 Cg_exo -65.73 109.31 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.709 2.273 . . . . 0.0 112.551 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 45' ' ' LEU . 1.7 m -120.57 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.939 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -88.06 113.36 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.7 155.97 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.041 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.24 -31.42 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.516 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 75' ' ' ILE . . . -62.33 -88.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.5 p -79.59 -173.16 3.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.3 -25.74 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.02 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 149.9 28.09 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.28 163.85 37.17 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.524 2.149 . . . . 0.0 112.425 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 54' ' ' ALA . 6.2 tt -132.51 103.52 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.41 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 9.0 p-90 175.79 -176.94 0.12 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.02 142.21 0.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.572 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -40.72 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -86.44 -78.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.323 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -110.39 96.9 28.99 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.12 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.715 ' HG2' HD13 ' A' ' 31' ' ' LEU . 34.7 Cg_endo -64.79 121.97 9.67 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.373 2.049 . . . . 0.0 112.081 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 155.83 68.66 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.153 . . . . 0.0 112.403 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.55 93.24 0.2 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.514 2.143 . . . . 0.0 112.176 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.669 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -90.71 160.42 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.011 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.604 HD22 HD13 ' A' ' 20' ' ' ILE . 38.8 mt -121.16 115.49 23.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.94 134.99 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.418 ' CB ' HG13 ' A' ' 62' ' ' ILE . 42.1 t -76.12 134.58 39.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' CD ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -95.29 31.9 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.438 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -136.22 -76.5 0.43 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 p -85.47 -14.03 47.33 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.294 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.2 m170 76.09 89.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.937 0.398 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 57' ' ' CYS . 1.1 pt -154.19 135.29 5.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.658 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 32' ' ' TYR . 5.5 mptt -100.74 150.2 23.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.023 0.44 . . . . 0.0 111.658 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.1 m -158.3 122.11 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.561 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.842 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -45.86 135.5 7.06 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -30.77 22.74 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -45.4 57.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.744 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.842 ' CD2' ' HD2' ' A' ' 65' ' ' HIS . 13.3 m-70 -54.73 -52.01 63.83 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.016 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.21 -48.2 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.54 -31.29 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -87.71 -16.04 35.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.293 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 64.37 59.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.969 0.414 . . . . 0.0 110.61 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -83.92 144.12 29.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.036 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -93.23 36.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.299 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.784 HG13 ' HB1' ' A' ' 40' ' ' ALA . 7.4 pt -110.24 -22.42 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.628 HD11 ' HB3' ' A' ' 68' ' ' HIS . 31.1 mt -76.87 124.63 35.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB1' ' HD2' ' A' ' 78' ' ' PRO . . . -98.9 163.62 18.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.112 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.697 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 28.5 Cg_endo -63.39 154.24 69.57 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.608 2.206 . . . . 0.0 112.229 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 25' ' ' HIS . 9.1 t -54.03 146.31 14.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.603 ' HE2' HG13 ' A' ' 81' ' ' VAL . 1.2 pttt -87.96 -35.65 17.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.58 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.603 HG13 ' HE2' ' A' ' 80' ' ' LYS . 33.4 m -85.56 9.19 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -50.74 -30.51 14.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.732 0.301 . . . . 0.0 111.172 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.23 -42.0 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_