data_2ikd_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 2ikd _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.841 0.353 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.76 122.4 33.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 31.7 p -115.64 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.04 115.81 30.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -59.85 162.07 10.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.47 -25.02 17.87 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.629 2.219 . . . . 0.0 112.098 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.96 -11.51 52.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 63.68 81.12 0.21 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.876 0.37 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -149.61 24.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.6 141.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.07 -171.87 36.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.563 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 m -115.13 146.68 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.689 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 1.5 t -118.63 121.85 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.017 0.437 . . . . 0.0 111.301 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -145.08 168.66 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.537 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m -58.03 179.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -93.61 29.66 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.245 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.9 29.08 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -127.49 -49.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 133.02 55.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -43.14 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.49 -42.06 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.617 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.74 85.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.688 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 m -66.83 -36.27 81.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.546 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -70.02 -32.77 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.107 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.475 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.1 mm -70.06 -36.06 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.3 mm -73.54 -29.96 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -102.65 -0.0 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.67 -82.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.74 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.983 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 37.9 Cg_endo -66.17 143.38 71.06 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.375 2.05 . . . . 0.0 112.509 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.71 75.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.693 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.82 179.1 5.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.999 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.63 74.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.21 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -35.93 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -68.7 -38.59 80.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.307 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.99 -37.75 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.887 0.375 . . . . 0.0 110.459 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -45.32 86.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 pp -72.13 -35.52 69.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.018 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -67.41 -36.5 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.5 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.06 -33.97 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 m -97.56 37.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.78 130.94 56.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.73 50.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.44 144.24 10.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.581 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.99 31.45 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.63 156.46 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -26.86 6.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.568 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -83.6 -38.88 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.014 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.01 90.04 3.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.31 146.43 56.76 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.484 2.123 . . . . 0.0 112.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 163.2 32.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -149.35 147.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.95 124.94 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.37 115.96 25.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.778 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 122.382 2.055 . . . . 0.0 112.256 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.866 0.365 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.33 126.62 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t -120.56 147.7 44.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 t -98.87 115.7 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.12 161.14 4.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -50.98 -27.74 22.1 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.691 2.261 . . . . 0.0 112.2 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.98 -14.5 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.58 84.77 0.14 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.912 0.387 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.63 23.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.42 140.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.34 -164.36 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.554 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.49 146.39 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.66 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.432 . . . . 0.0 111.274 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 169.07 18.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.437 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 175.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.805 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 pp -94.3 33.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.44 36.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -151.81 -44.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.36 118.12 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -40.01 75.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 16.2 m -63.85 -38.78 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.02 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.12 -36.95 85.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -65.09 -43.93 90.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.171 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -62.73 -31.76 72.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.972 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 15.7 mt -71.18 -36.35 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mm -67.1 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -82.55 -24.64 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.191 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -91.01 -50.53 5.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.4 78.7 67.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.53 86.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 61.69 112.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.13 165.7 26.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 4.0 mt-30 -73.76 -31.81 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.74 -35.89 72.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.1 tp10 -68.05 -43.87 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.206 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.29 -37.61 80.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.448 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -41.69 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 46' ' ' GLU . 4.4 pp -72.0 -34.8 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.392 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -38.7 85.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.548 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.21 -33.27 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.41 45.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.035 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.98 120.74 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.7 m -67.41 76.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.61 144.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.5 -33.51 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.51 -68.99 0.16 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.42 -28.2 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -134.46 -43.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 m -97.94 100.28 8.37 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.15 149.66 64.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.509 2.139 . . . . 0.0 112.257 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 157.02 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.91 155.73 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 4.8 t -101.02 123.9 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.3 m -118.05 118.66 34.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--N 1.346 0.415 0 C-N-CA 122.404 2.069 . . . . 0.0 112.243 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.792 0.329 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.11 119.47 37.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -123.37 166.91 14.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -104.07 115.93 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.84 161.29 6.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.757 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.44 -25.37 18.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.65 2.233 . . . . 0.0 112.144 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.22 -11.35 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.59 84.15 0.16 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -154.3 25.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.12 137.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.39 -155.45 8.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.598 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -131.23 146.77 52.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.641 0.258 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.0 t -118.5 122.84 43.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 111.317 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.01 167.58 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -57.24 -179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 pp -94.44 21.71 6.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.206 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.43 27.15 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 110.715 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -45.82 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 127.43 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -39.33 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 10.6 p -68.24 -39.45 81.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.88 85.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.94 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.5 81.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -70.05 -32.71 70.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 111.154 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.453 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 15.6 mt -71.2 -36.9 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 mm -74.38 -26.21 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.28 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 0.11 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -78.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.27 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.66 -60.46 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 14.8 Cg_endo -56.95 132.33 50.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.495 2.13 . . . . 0.0 112.33 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.43 76.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -173.2 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.21 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -65.78 -31.5 72.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.06 -35.95 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.639 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -43.33 90.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -68.01 -37.98 82.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -68.67 -35.86 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.66 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.429 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -67.12 -37.52 84.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.675 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.53 -35.98 81.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -100.75 40.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.688 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.43 132.15 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.61 63.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.93 179.46 20.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -148.13 126.11 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 -39.7 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.0 -60.62 0.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -49.17 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.1 m -104.29 89.06 2.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.44 140.31 52.13 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.473 2.116 . . . . 0.0 112.25 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.31 158.51 39.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.044 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.08 157.77 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.2 m -102.37 123.85 46.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.5 115.02 27.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.39 2.06 . . . . 0.0 112.416 -179.746 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.735 0.302 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.22 127.84 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t -126.0 154.47 42.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 t -97.12 115.67 27.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.414 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -59.33 161.71 9.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.1 Cg_endo -50.43 -25.81 14.88 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.609 2.206 . . . . 0.0 112.287 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -83.85 -17.67 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t30 69.72 86.05 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -159.02 28.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm 63.19 142.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.17 -149.38 6.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.829 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 146.77 52.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.732 0.301 . . . . 0.0 110.832 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.73 41.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.949 0.404 . . . . 0.0 110.757 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -145.36 169.03 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.622 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -64.08 -176.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.621 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 pp -94.06 26.58 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.69 32.72 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -153.96 -44.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.34 124.93 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.45 -36.01 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 30.2 t -68.28 -38.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.89 85.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.73 -38.5 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.418 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -67.81 -31.95 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.986 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 9.6 mt -70.93 -39.71 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.383 . . . . 0.0 110.963 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.5 -30.78 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.8 t -81.83 -26.56 34.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -79.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.03 72.57 1.04 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.2 94.13 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.775 2.317 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -178.42 68.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.05 151.21 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.05 -32.9 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -59.93 -31.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -35.84 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.83 -43.3 79.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -67.9 -37.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -35.91 82.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tp -71.97 -39.18 69.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.329 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -67.12 -35.9 80.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -32.18 73.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.12 38.26 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.61 122.39 43.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 38.7 t -80.0 71.46 6.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.64 157.52 52.67 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -177.18 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.37 -26.92 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.78 136.97 7.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.323 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.43 -58.57 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -46.59 131.83 8.17 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.86 127.35 10.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.574 2.183 . . . . 0.0 112.672 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 162.97 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -148.04 143.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 111.528 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.1 t -100.91 123.98 45.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.8 129.21 25.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 C--N 1.347 0.469 0 C-N-CA 122.473 2.115 . . . . 0.0 112.317 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.852 0.358 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.76 121.8 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 52.7 t -117.82 154.06 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 t -105.7 115.87 30.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.66 160.64 18.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.739 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -50.6 -25.5 14.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -86.59 -13.95 44.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 66.74 85.38 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.829 0.347 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -149.79 22.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.77 133.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -158.28 8.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.684 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 m -128.31 146.64 50.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.524 0.202 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -118.48 124.27 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.473 . . . . 0.0 111.395 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -145.27 168.46 20.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.3 m -60.05 174.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.98 29.5 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.27 26.1 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -131.78 -52.15 0.99 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 115.6 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.95 -31.62 63.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.424 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.1 m -69.72 -38.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.2 t -66.93 -37.34 84.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.478 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.6 pttp -68.73 -32.44 72.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 111.021 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.458 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.5 mt -69.05 -38.84 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.94 -33.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -75.75 -27.5 58.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.982 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.37 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.91 88.11 3.26 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.97 103.52 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.517 2.144 . . . . 0.0 112.461 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 63.29 129.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.333 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.81 154.22 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 46' ' ' GLU . . . -55.01 -38.01 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 7.0 mt-30 -75.32 -36.88 61.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -70.18 -37.35 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.293 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -71.06 -40.57 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.694 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.95 -37.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.677 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -70.12 -41.15 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.396 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 46' ' ' GLU . 4.1 pp -70.26 -32.97 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.721 0.296 . . . . 0.0 110.49 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.402 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 6.8 ttt180 -64.06 -37.7 88.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.407 . . . . 0.0 110.5 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.3 -31.33 63.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.924 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -114.2 45.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . -127.71 141.82 51.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 111.322 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.4 m -93.2 25.38 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.08 143.23 18.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.581 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -108.33 -28.68 9.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.724 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.63 166.13 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.07 14.89 63.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.98 -18.5 11.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.645 0.26 . . . . 0.0 111.204 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.1 m -102.84 96.4 7.69 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.979 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -76.89 112.84 3.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.526 2.151 . . . . 0.0 112.748 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -138.15 163.54 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.611 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -151.15 147.34 15.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.405 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 68.5 m -100.81 123.88 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.909 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.47 114.88 34.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.482 2.121 . . . . 0.0 112.285 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.6 118.98 38.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.51 166.36 13.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.3 t -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -58.97 161.74 8.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.34 -25.11 17.39 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.617 2.211 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -86.56 -11.36 51.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 64.31 83.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -154.08 24.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm 62.58 139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.017 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.95 -154.37 8.17 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.603 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -130.18 146.58 51.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.643 0.259 . . . . 0.0 110.777 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.51 123.06 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.072 0.463 . . . . 0.0 111.243 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -144.15 169.09 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.631 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.3 m -59.68 178.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.66 29.73 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -139.11 34.86 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -142.18 -46.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.02 114.86 7.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -30.95 71.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 110.536 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 11.0 p -63.14 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.912 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.01 85.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -66.12 -42.23 89.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -64.0 -31.7 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.959 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 13.3 mt -68.51 -41.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.978 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.6 mm -62.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -73.61 -29.69 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -44.11 91.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -140.79 72.46 29.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.76 118.21 4.85 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 59.68 107.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -161.33 138.01 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.6 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.22 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 2.1 tt0 -72.62 -30.33 64.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.26 -35.81 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.65 -43.9 79.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -68.35 -37.15 80.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.71 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.437 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -66.89 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.42 -40.65 89.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.12 -40.22 86.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -72.94 -31.01 64.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -97.47 38.24 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.71 121.43 25.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.7 p -79.77 62.32 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.41 -175.49 21.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -143.91 100.69 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.386 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.28 169.79 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.9 -24.43 4.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.736 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -115.42 -37.62 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 111.018 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.7 m -109.84 91.31 10.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 150.48 67.94 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.525 2.15 . . . . 0.0 112.144 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -138.03 160.37 39.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.059 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.07 159.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.949 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.5 m -101.65 123.83 46.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 111.083 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.09 114.91 23.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.534 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.389 2.059 . . . . 0.0 112.255 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.817 0.341 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.49 117.93 33.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 p -121.5 167.01 13.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.46 115.88 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 160.64 9.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.787 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.67 -25.54 15.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.623 2.216 . . . . 0.0 112.062 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.72 -17.13 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.053 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 69.09 86.02 0.13 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -154.94 25.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 62.88 137.94 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 110.984 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.23 -160.97 14.24 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.619 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 m -122.91 146.7 47.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.54 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.23 122.05 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 111.214 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 169.24 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.462 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -56.16 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.43 30.41 2.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.76 29.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -130.29 -45.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 117.07 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -40.77 83.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 12.7 p -66.05 -38.98 83.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -65.02 -36.98 86.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.474 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.006 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.456 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 mt -70.99 -36.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.439 HG23 HD12 ' A' ' 36' ' ' ILE . 21.0 mm -73.87 -33.07 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 t -98.52 -4.63 33.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -76.59 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 16.2 mmtm -159.41 -66.04 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 62.7 Cg_endo -73.31 156.82 50.52 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.375 2.05 . . . . 0.0 112.331 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 179.64 77.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.789 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -121.24 -169.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -32.6 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.361 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -59.63 -31.55 69.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.925 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -36.06 73.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -69.0 -38.24 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.349 -179.491 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 4.3 ptmm? -68.11 -37.56 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.294 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -62.85 -46.46 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 3.4 pp -71.22 -33.2 69.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.081 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -67.42 -35.55 79.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -34.14 66.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 m -97.25 37.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.99 123.67 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.79 74.23 1.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.44 -178.09 20.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -138.21 66.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.38 156.13 19.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.11 -45.97 1.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -80.78 -28.69 36.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.49 86.23 1.67 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.23 133.34 26.28 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.569 2.179 . . . . 0.0 112.242 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -137.94 158.08 45.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.3 156.56 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.24 123.82 48.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.09 122.78 29.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.682 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo . . . . . 0 C--N 1.346 0.44 0 C-N-CA 122.356 2.037 . . . . 0.0 112.156 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.87 0.366 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.56 125.18 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.083 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -120.98 154.12 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -104.5 115.76 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.408 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -58.01 161.09 7.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.686 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.12 -25.4 16.84 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 112.143 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.73 -17.26 38.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.04 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 69.72 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.869 0.366 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.31 24.48 0.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 63.34 135.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.91 -162.18 17.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.728 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -123.33 146.87 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.663 0.268 . . . . 0.0 110.785 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.29 121.66 40.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 111.001 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -145.29 168.99 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.564 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -176.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.85 33.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.78 28.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -126.99 -47.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.92 138.92 56.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.07 -41.52 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.27 -39.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.91 84.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.793 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -63.91 -44.7 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -62.64 -32.11 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.577 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 29.6 mm -71.17 -34.95 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.054 0.454 . . . . 0.0 111.0 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.1 -33.05 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.185 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -105.61 0.28 26.32 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.577 ' HG2' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -50.33 -89.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.194 -0.316 . . . . 0.0 111.263 -179.367 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.504 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 177.53 -67.77 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.47 0.176 . . . . 0.0 110.57 179.547 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 36.9 Cg_endo -64.84 117.36 4.46 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.078 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -119.8 99.92 6.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -125.05 164.16 20.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.066 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.37 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.226 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.486 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 56.4 mt-30 -59.39 -29.72 67.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.939 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -70.4 -36.74 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 1.9 tt0 -69.36 -39.17 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.1 -37.64 81.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.071 0.462 . . . . 0.0 110.064 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -63.1 -45.41 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.416 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 3.9 pp -69.38 -37.54 77.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.884 0.374 . . . . 0.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.68 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.568 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -97.16 28.15 3.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 139.88 39.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 11.7 p -89.38 50.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.88 -150.62 1.93 Allowed Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.892 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.28 148.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.72 115.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.72 -25.84 26.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.605 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.35 -39.28 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.46 110.82 18.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.85 137.65 38.74 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.343 2.029 . . . . 0.0 112.36 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.76 161.24 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.39 155.48 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.246 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.2 t -100.93 132.08 46.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -131.59 114.88 15.73 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 C--N 1.346 0.439 0 C-N-CA 122.301 2.001 . . . . 0.0 112.358 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.731 0.3 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.62 121.55 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -118.9 160.37 22.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.5 t -106.92 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -59.9 162.07 10.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.16 -25.18 16.54 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.539 2.159 . . . . 0.0 112.056 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -83.74 -15.71 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 65.28 85.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -152.44 23.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 62.58 133.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.21 -172.22 29.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.674 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' CYS . 1.7 m -124.9 130.76 53.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 31.0 p -118.58 128.35 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.158 0.504 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 169.35 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.028 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -51.84 174.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.676 0.274 . . . . 0.0 110.565 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.83 41.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mt -147.22 30.19 0.95 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -133.01 -56.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.311 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.7 133.33 53.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -66.05 -44.76 83.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.711 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.408 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 12.6 p -59.2 -38.88 76.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.47 -36.99 85.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -60.09 -35.3 74.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.562 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.73 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 19.5 mt -68.06 -35.45 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.423 ' HA ' ' HB3' ' A' ' 40' ' ' PRO . 36.5 mm -71.23 -25.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.4 p -88.11 -35.78 17.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.73 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -68.6 -63.38 1.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.317 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.12 80.21 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 36' ' ' ILE . 91.7 Cg_endo -81.4 -168.64 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 54.06 93.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.232 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -163.04 154.22 17.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -34.37 69.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.07 -34.77 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.98 -35.83 74.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.28 -42.04 88.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 7.2 ptpp? -68.15 -37.76 81.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.12 -38.68 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.245 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.38 -34.68 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -67.07 -37.25 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.752 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.06 -31.1 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -119.57 46.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.34 138.74 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.06 29.91 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.68 141.72 33.88 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.61 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.77 28.23 2.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 0.0 110.653 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.34 -46.52 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.768 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.54 33.56 1.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.585 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -179.4 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.1 t -56.59 117.85 19.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.96 114.78 4.07 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.45 2.1 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -138.08 156.52 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -141.8 150.17 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.94 127.51 47.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' THR . 1.2 m -117.63 116.67 36.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.346 0.43 0 C-N-CA 122.393 2.062 . . . . 0.0 112.302 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.821 0.343 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.97 118.42 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.61 167.04 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.999 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -106.29 116.01 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -58.92 161.1 9.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.71 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.3 Cg_endo -50.85 -25.4 15.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.691 2.261 . . . . 0.0 112.187 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -85.73 -15.25 42.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.88 85.44 0.14 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -155.2 25.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? 63.2 138.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.942 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.53 -168.19 29.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.599 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -119.96 146.67 45.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.582 0.229 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.5 121.84 41.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 111.278 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -143.38 162.64 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.0 m -55.01 -178.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pp -95.89 28.19 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -139.99 29.15 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -133.05 -53.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 125.91 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.746 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.44 -41.24 93.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.041 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.2 m -65.21 -40.63 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.98 86.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -36.25 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.402 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.5 pttt -68.65 -36.17 78.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.895 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.729 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 12.3 mt -66.33 -35.56 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.884 0.373 . . . . 0.0 111.023 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -67.51 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.526 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 p -77.34 -37.46 52.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.729 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -75.88 -22.56 56.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.378 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.19 78.72 2.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -85.83 28.12 0.57 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.855 2.37 . . . . 0.0 112.997 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.79 85.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.01 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -162.95 142.64 8.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.824 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.58 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -61.36 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -35.82 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 34.5 mt-10 -69.19 -42.48 75.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -68.11 -37.7 81.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -69.9 -41.33 74.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 46' ' ' GLU . 4.2 pp -72.05 -33.68 68.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.336 . . . . 0.0 110.254 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 10.0 ttm180 -67.2 -38.96 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.25 -31.67 64.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.577 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 2.1 t -109.49 46.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.397 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.03 113.26 14.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.93 45.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 165.41 -170.91 40.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.415 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -155.07 130.72 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -162.83 149.1 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.63 28.01 15.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.609 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.89 -45.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -110.21 71.85 0.64 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.35 168.68 18.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.558 2.172 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -137.94 160.17 40.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' SER . 21.5 t -142.29 147.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.7 m -100.74 123.81 45.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.078 0.466 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.88 115.19 32.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.615 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 C--N 1.347 0.475 0 C-N-CA 122.31 2.007 . . . . 0.0 112.422 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.1 117.93 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 9.5 t -114.83 148.55 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 t -96.82 115.78 28.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.716 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 162.25 11.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 -28.15 17.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.557 2.171 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -82.17 -17.25 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 69.52 86.04 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.794 0.33 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.59 25.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? 63.3 137.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.55 -154.77 7.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.824 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -130.15 146.95 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.594 0.235 . . . . 0.0 110.691 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 2.5 t -118.21 121.43 40.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -145.7 169.0 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.353 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.1 m -61.91 -179.26 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.411 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -95.23 27.31 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.973 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.2 28.39 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -127.69 -49.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.72 115.85 3.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -32.71 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.036 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 22.7 t -69.33 -43.7 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.19 -36.91 85.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.039 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -35.93 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.372 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 2.3 pttm -70.0 -33.72 72.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.989 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 12.2 mt -71.22 -41.25 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.0 mm -73.72 -34.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.957 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -82.3 -19.36 39.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.992 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 172.25 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.152 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 27.3 Cg_endo -62.28 152.02 78.92 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.406 2.071 . . . . 0.0 112.559 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.578 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.81 177.57 4.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.226 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.11 -32.36 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.264 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 63.6 mt-30 -59.35 -32.48 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.021 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.26 -36.0 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 8.0 tt0 -70.11 -38.75 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -68.08 -37.66 81.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.992 0.425 . . . . 0.0 110.321 179.532 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.5 -44.95 89.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 4.4 pp -72.03 -35.68 69.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 0.0 110.06 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.83 82.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -73.02 -39.71 65.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.2 m -99.17 39.03 1.32 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.13 104.61 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -63.41 79.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.94 143.79 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.32 -14.84 12.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.638 0.256 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.88 -46.77 74.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.88 -53.47 0.75 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.594 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -31.64 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.7 m -70.71 111.39 9.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -73.48 102.05 1.44 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.492 2.128 . . . . 0.0 112.413 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -138.06 154.77 49.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -146.93 156.87 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.9 m -106.84 123.81 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.85 114.95 33.71 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.744 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 122.342 2.028 . . . . 0.0 112.301 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.74 120.24 31.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -115.59 167.0 11.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 t -103.49 115.97 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.023 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 162.44 8.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.66 -27.95 21.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.238 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -82.77 -16.92 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 70.09 83.26 0.15 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.78 25.78 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.12 143.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.01 -156.08 10.76 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.642 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -129.24 146.46 51.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.696 0.284 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.67 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 111.081 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.33 169.05 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.644 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.6 m -60.96 -179.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pp -97.6 29.4 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.23 31.64 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -141.65 -45.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 95.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -30.64 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.9 m -66.21 -38.81 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.122 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -38.64 89.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.8 pttt -66.93 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.486 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.9 mt -67.74 -41.38 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.452 HG22 HD13 ' A' ' 36' ' ' ILE . 18.8 mm -65.22 -31.71 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.855 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t -99.64 0.01 41.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.72 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.94 -43.85 6.24 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.804 0.335 . . . . 0.0 111.216 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.67 84.9 9.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.53 -179.55 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.631 2.221 . . . . 0.0 112.222 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.509 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 0.7 OUTLIER 172.45 143.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.801 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.8 m -86.91 -105.35 0.07 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.977 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.79 70.98 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.462 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 31.3 mt-30 -64.17 -38.28 90.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.509 ' HB2' ' HB3' ' A' ' 41' ' ' ARG . 32.6 t70 -69.4 -35.99 76.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.054 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.3 mm-40 -64.28 -43.64 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -68.16 -37.68 81.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.127 0.489 . . . . 0.0 110.392 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -41.57 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.264 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 46' ' ' GLU . 4.2 pp -71.91 -33.36 68.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.477 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 28.2 ttt180 -67.31 -34.99 78.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.97 -34.23 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.12 39.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.13 129.28 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.2 m -64.99 81.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.35 167.05 9.55 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -126.27 88.6 2.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -52.72 6.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.92 -73.35 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.569 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.88 -21.87 58.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.647 0.26 . . . . 0.0 111.108 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.78 85.75 2.01 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.309 . . . . 0.0 111.03 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.28 127.85 13.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.488 2.125 . . . . 0.0 112.197 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.99 159.36 42.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -146.86 156.73 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 m -104.93 124.01 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -121.09 114.88 31.93 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.428 2.086 . . . . 0.0 112.294 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.91 121.62 29.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.04 167.12 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.6 t -105.04 115.65 30.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.402 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -63.7 161.76 33.76 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.696 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.3 Cg_endo -50.81 -25.36 15.31 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.589 2.193 . . . . 0.0 112.231 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -14.18 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 63.85 83.63 0.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -155.99 26.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.08 138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.014 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.48 -159.43 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.574 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 m -124.83 146.39 49.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.75 121.81 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.411 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 169.02 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.568 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.0 t -56.06 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.68 37.89 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.032 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -150.81 29.62 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -125.61 -48.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 125.62 27.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.89 -30.93 68.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 32.0 t -67.21 -42.56 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.92 85.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -68.31 -35.73 78.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.402 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 7.2 pttt -70.07 -32.75 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.096 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.447 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.9 mt -71.05 -36.93 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 111.003 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -75.08 -27.1 19.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.04 -0.18 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.514 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -80.73 0.15 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.44 -54.32 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.084 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.93 107.1 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.51 2.14 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -152.58 68.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 p -109.59 -176.33 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -32.99 61.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -64.39 -31.48 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -35.97 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.733 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.93 -42.43 90.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 17.8 ptpt -68.01 -37.78 81.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.313 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -41.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.076 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -38.37 75.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 110.492 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -67.32 -37.03 82.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.651 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.1 -28.01 62.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -96.76 38.12 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 56' ' ' PHE . . . -123.64 129.43 51.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.3 p -86.09 78.11 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' PHE . . . 103.46 179.9 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 36.8 m-85 -161.92 88.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.779 0.323 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' HB2' ' CG2' ' A' ' 60' ' ' THR . 1.9 t0 -62.48 -29.7 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.658 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.19 -41.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -19.0 8.65 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.41 ' CG2' ' HB2' ' A' ' 57' ' ' ASP . 14.6 t -94.62 107.65 31.74 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.737 0.303 . . . . 0.0 111.398 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.69 128.0 5.84 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.591 2.194 . . . . 0.0 112.15 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -138.04 155.57 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.253 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.89 159.66 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 12.9 t -106.21 123.79 48.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.95 132.82 22.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 C--N 1.345 0.35 0 C-N-CA 122.446 2.097 . . . . 0.0 112.427 -179.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.777 0.322 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.92 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 p -116.74 167.06 11.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -100.75 115.98 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.6 163.6 11.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.765 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -51.19 -26.77 20.65 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.454 2.102 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.65 -13.1 54.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.71 82.64 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -156.5 27.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.007 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.88 142.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.75 -152.26 7.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.701 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.13 146.73 51.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -118.67 121.9 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.118 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -138.95 167.09 22.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.799 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -58.22 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -96.24 31.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 mt -146.78 41.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -151.43 -42.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.47 116.84 2.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -36.64 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.425 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.4 m -67.93 -39.58 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.88 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -66.79 -37.32 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -68.89 -32.46 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 0.0 111.024 -179.737 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.3 mt -69.22 -38.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -69.87 -32.23 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.014 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -96.15 0.17 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.362 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -83.34 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.705 0.288 . . . . 0.0 110.829 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 174.78 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.093 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 35.4 Cg_endo -65.1 146.25 86.64 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.467 2.112 . . . . 0.0 112.53 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.9 98.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -174.03 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.081 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.95 -32.75 61.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.182 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.76 -32.33 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.0 -35.92 74.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.685 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -41.28 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -39.41 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -35.88 81.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.725 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.24 -34.7 73.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -37.47 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.703 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -98.25 34.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.2 138.24 52.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -57.23 95.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.77 179.78 4.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.22 101.68 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.55 166.62 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -130.43 44.37 1.22 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -106.04 87.29 2.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.48 129.42 17.86 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.468 2.112 . . . . 0.0 112.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -136.75 156.71 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.0 150.39 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.94 123.85 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.008 0.432 . . . . 0.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -126.6 122.06 23.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.679 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.346 2.03 . . . . 0.0 112.36 -179.728 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.63 124.82 28.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -118.79 152.91 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -99.47 115.89 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.99 160.71 8.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.788 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.69 -25.66 15.54 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.654 2.236 . . . . 0.0 112.11 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.41 -16.39 39.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.61 86.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.14 24.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? 62.75 139.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.37 -156.52 10.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.704 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 m -126.18 146.67 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.644 0.259 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.32 121.77 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -145.03 169.31 18.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.507 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 176.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.662 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.42 31.98 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 mt -142.97 31.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -139.32 -47.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -63.62 125.83 25.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -35.82 77.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.1 m -64.48 -42.19 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.42 -37.35 86.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.0 p -69.39 -36.91 77.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.416 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 31' ' ' VAL . 16.4 pttm -70.09 -32.6 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.024 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.0 mm -69.45 -35.93 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.78 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.4 mm -71.57 -30.68 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.6 p -96.07 -12.96 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.358 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.08 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -176.27 -53.79 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.084 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 32.2 Cg_exo -58.54 131.11 40.64 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.202 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -162.53 65.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -126.63 -176.83 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.97 62.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 11.8 mt-30 -63.67 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -70.23 -36.09 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -40.37 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 2.1 ptpt -68.0 -37.62 81.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.39 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.8 -44.62 85.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.06 -35.98 69.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.116 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -67.31 -35.29 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.572 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.52 -29.71 66.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.976 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -96.89 36.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.07 126.99 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.43 72.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.75 177.21 19.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -166.89 133.36 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 19.13 3.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 53.15 26.92 29.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.748 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -159.79 -45.19 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 111.055 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.2 t -84.62 111.76 37.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.51 117.29 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.712 2.275 . . . . 0.0 112.477 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -138.0 161.18 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.9 t -144.62 159.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 4.5 t -103.51 124.39 48.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 114.82 31.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.441 2.094 . . . . 0.0 112.337 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.761 0.315 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.65 117.75 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -123.24 159.62 28.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -94.41 115.84 28.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -61.04 161.73 15.21 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.787 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.0 Cg_endo -50.41 -25.85 14.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.601 2.2 . . . . 0.0 112.07 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.12 -19.01 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 69.33 80.84 0.18 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -152.88 23.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt 62.44 132.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.77 -160.33 10.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.719 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' CYS . 2.2 m -129.22 133.58 47.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 23.7 p -118.62 130.4 55.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.125 0.488 . . . . 0.0 111.516 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -145.05 169.5 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.143 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 t -49.95 176.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.91 30.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -144.82 31.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -134.4 -54.51 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.4 136.68 57.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.23 -31.52 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.731 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.472 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 31.9 t -70.23 -40.46 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.03 85.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -68.09 -36.44 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 3.0 pttt -69.95 -33.3 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.11 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 17.2 mt -70.72 -36.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -74.11 -29.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.0 t -88.45 -30.96 19.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -66.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -177.18 80.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.77 83.28 2.25 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.444 2.096 . . . . 0.0 112.413 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -173.22 70.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.03 135.06 19.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.432 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.84 -32.02 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.43 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.06 -34.35 64.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -35.96 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -71.07 -40.94 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.3 ptpm? -68.21 -37.6 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.447 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.77 -43.22 80.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.406 ' CD1' ' N ' ' A' ' 50' ' ' ARG . 4.5 pp -72.21 -39.47 68.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.931 0.396 . . . . 0.0 110.005 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 3.2 mtt85 -67.47 -38.2 84.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.694 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -73.21 -33.18 65.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' CYS . 1.4 m -97.71 37.92 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.131 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.94 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.3 p -79.71 60.66 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.39 143.85 5.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -112.05 106.43 15.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.17 136.96 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.44 45.51 2.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -158.11 -45.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -127.07 101.74 25.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.54 149.87 79.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.097 . . . . 0.0 112.116 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -135.82 155.26 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.46 154.28 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 3.7 t -104.27 123.97 48.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -116.18 114.57 40.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.112 . . . . 0.0 112.235 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.771 0.32 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 123.15 26.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.74 167.17 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.44 115.88 30.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 163.23 10.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.69 -26.92 18.38 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -83.83 -16.7 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.55 85.87 0.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -154.02 24.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.75 133.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.22 -155.99 8.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.94 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 m -130.85 147.5 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -117.49 122.6 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.12 0.486 . . . . 0.0 111.018 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -129.28 164.76 22.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -173.41 0.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.088 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -82.52 4.6 23.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.352 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.08 23.39 3.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.41 -39.62 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.03 118.28 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -39.31 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 m -63.1 -38.72 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.996 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.06 85.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.832 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -66.84 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.25 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -65.14 -31.9 73.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 -179.777 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.473 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.0 mm -70.21 -41.6 78.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 110.964 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.412 HG22 HD11 ' A' ' 36' ' ' ILE . 27.5 mm -62.3 -33.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.917 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p -83.9 -26.39 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -73.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.93 93.59 1.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.78 -157.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.697 2.264 . . . . 0.0 112.511 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER 176.12 159.04 0.28 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -75.32 -124.15 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.71 -32.66 59.87 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-O 120.746 0.308 . . . . 0.0 111.562 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.926 0.393 . . . . 0.0 110.997 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 17.5 t70 -70.14 -35.94 74.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -66.71 -40.74 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 8.4 ptmt -66.54 -37.41 84.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.302 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -39.91 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 45' ' ' ASP . 0.8 OUTLIER -65.97 -44.05 86.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.411 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -39.31 93.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -72.05 -31.15 65.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -106.81 42.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.34 152.82 35.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.0 p -92.29 23.79 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.498 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.14 -137.86 32.32 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.815 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 70.13 -64.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.02 143.97 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.92 -38.8 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -84.33 -60.42 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 m -60.5 113.27 7.11 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.38 131.95 49.32 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.44 2.093 . . . . 0.0 112.32 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -137.51 146.23 43.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.697 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -135.33 152.6 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.942 0.401 . . . . 0.0 111.307 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.1 123.92 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.318 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.3 m -116.32 114.47 40.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.483 2.122 . . . . 0.0 112.474 -179.763 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.27 121.09 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 p -119.09 166.92 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -103.78 115.8 31.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -59.24 161.97 8.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.755 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.44 -24.98 17.62 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.622 2.215 . . . . 0.0 112.21 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -10.65 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.58 83.84 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.923 0.392 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.45 25.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.006 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 141.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.52 -165.85 30.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.67 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -119.25 146.58 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 110.706 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.53 121.92 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 169.02 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -60.18 177.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.787 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.57 35.87 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -132.42 35.49 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -158.23 -42.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.41 136.03 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.86 -43.04 94.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.43 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 10.1 t -68.34 -38.8 79.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.19 -36.82 85.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.761 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -41.22 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.353 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 5.7 pttt -64.7 -32.36 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.466 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 11.3 mt -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.3 mm -66.09 -34.91 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -78.8 -21.56 47.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -89.13 -58.87 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.917 0.389 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 84.95 0.1 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.05 66.59 8.33 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.413 2.075 . . . . 0.0 112.421 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.17 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -162.85 150.66 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.3 -33.01 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.56 -31.44 66.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -36.03 74.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 2.2 tm-20 -67.04 -41.44 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 1.4 ptmt -68.12 -37.23 80.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.01 0.433 . . . . 0.0 110.695 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -70.05 -41.98 73.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' ' HA ' ' A' ' 46' ' ' GLU . 4.5 pp -72.28 -40.1 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.575 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -67.99 -34.11 75.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.883 0.373 . . . . 0.0 110.581 179.447 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -103.37 40.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.26 142.79 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 p -94.68 30.14 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.65 -140.76 45.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.699 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 63.11 168.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.83 -49.69 2.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -34.81 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.28 141.83 23.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.65 140.2 29.16 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.158 . . . . 0.0 112.39 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -138.0 154.94 49.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.1 t -144.0 158.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.5 m -100.85 131.25 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.68 115.75 19.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.465 2.11 . . . . 0.0 112.297 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.864 0.364 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.7 118.8 28.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.1 167.16 10.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 t -112.12 115.66 29.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.34 160.76 77.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.24 -26.97 8.9 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.488 2.126 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -81.53 -17.84 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 64.08 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.06 23.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.079 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 62.58 132.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.47 -174.95 33.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.587 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -118.48 146.31 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.7 p -118.79 126.26 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 111.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 169.23 18.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.627 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -55.34 -175.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -97.41 31.61 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.7 mt -146.41 28.7 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.46 -51.29 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 119.59 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.72 -38.23 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.3 m -63.72 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.24 -36.82 78.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -66.08 -38.69 88.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.479 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -68.42 -31.99 71.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.469 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.9 mm -69.6 -37.04 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.4 mm -71.82 -30.88 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.6 -19.79 23.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -65.94 0.48 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 179.29 -55.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.987 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 71.7 Cg_exo -48.93 131.82 25.93 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.502 2.135 . . . . 0.0 112.426 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -170.4 88.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.64 -170.75 3.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.98 -32.96 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -59.68 -31.78 69.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.38 -35.78 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 17.4 mt-10 -68.71 -38.73 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.345 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.7 ptpt -68.16 -37.6 81.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.924 0.392 . . . . 0.0 110.321 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -44.72 88.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 4.4 pp -71.48 -32.95 68.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.077 0.465 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -67.34 -34.69 77.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.629 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -33.63 69.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -112.74 46.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.682 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -108.54 146.87 32.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 70.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.064 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.34 -166.82 12.88 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.696 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -111.1 -20.38 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 111.252 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.55 127.0 16.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.86 0.362 . . . . 0.0 111.184 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.89 -34.94 7.41 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -31.21 67.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.89 98.53 7.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.64 107.49 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.387 2.058 . . . . 0.0 112.285 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -135.84 147.47 48.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.977 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.67 156.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.0 123.97 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.62 114.8 39.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.456 2.104 . . . . 0.0 112.315 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.98 123.96 29.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.1 p -116.48 167.02 11.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 t -101.45 116.02 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 163.24 15.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.56 -26.62 17.14 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.505 2.137 . . . . 0.0 112.299 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.24 -17.92 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.52 83.75 0.16 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.0 29.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.783 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.95 142.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.61 -149.75 6.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -118.41 121.68 40.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -145.28 165.56 28.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.661 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 p -61.79 -178.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.774 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.99 33.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.1 mt -141.96 28.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -130.64 -53.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.26 112.77 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.714 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -36.96 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 11.7 p -68.69 -40.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.02 85.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -37.2 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.482 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -69.77 -33.03 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.693 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.416 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 12.4 mt -70.63 -35.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.4 mm -74.45 -32.79 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.02 0.12 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.325 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -79.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 111.036 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -179.33 -61.59 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 13.7 Cg_endo -56.87 140.48 91.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.551 2.167 . . . . 0.0 112.403 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.45 90.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.43 -174.65 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.66 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.351 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 6.0 mt-30 -59.76 -29.68 68.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.84 -35.97 72.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.33 -44.02 76.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.46 -37.59 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.553 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -67.27 -35.87 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 tp -72.2 -33.02 67.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.258 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -66.93 -35.35 79.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.91 -34.95 69.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.47 38.09 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -115.67 105.22 12.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.038 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -54.91 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.146 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.79 -177.82 38.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.636 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -137.22 111.06 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.62 -72.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.66 -48.2 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.86 -38.64 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -95.69 102.46 10.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.94 135.88 36.5 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.389 2.059 . . . . 0.0 112.285 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 157.24 46.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.75 152.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.05 124.28 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.41 116.94 23.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--N 1.347 0.468 0 C-N-CA 122.394 2.062 . . . . 0.0 112.146 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.841 0.353 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.76 122.4 33.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 31.7 p -115.64 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.04 115.81 30.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -59.85 162.07 10.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.47 -25.02 17.87 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.629 2.219 . . . . 0.0 112.098 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.96 -11.51 52.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 63.68 81.12 0.21 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.876 0.37 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -149.61 24.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.6 141.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.07 -171.87 36.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.563 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 m -115.13 146.68 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.689 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 1.5 t -118.63 121.85 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.017 0.437 . . . . 0.0 111.301 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -145.08 168.66 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.537 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m -58.03 179.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -93.61 29.66 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.245 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.9 29.08 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -127.49 -49.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 133.02 55.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -43.14 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.49 -42.06 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.617 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.74 85.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.688 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 m -66.83 -36.27 81.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.546 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -70.02 -32.77 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.107 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.475 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.1 mm -70.06 -36.06 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.3 mm -73.54 -29.96 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -102.65 -0.0 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.67 -82.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.74 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.983 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 37.9 Cg_endo -66.17 143.38 71.06 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.375 2.05 . . . . 0.0 112.509 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.71 75.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.693 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.82 179.1 5.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.999 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.63 74.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.21 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -35.93 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -68.7 -38.59 80.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.307 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.99 -37.75 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.887 0.375 . . . . 0.0 110.459 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -45.32 86.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 pp -72.13 -35.52 69.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.018 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -67.41 -36.5 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.5 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.06 -33.97 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 m -97.56 37.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.78 130.94 56.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.73 50.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.44 144.24 10.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.581 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.99 31.45 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.63 156.46 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -26.86 6.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.568 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -83.6 -38.88 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.014 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.01 90.04 3.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.31 146.43 56.76 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.484 2.123 . . . . 0.0 112.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 163.2 32.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -149.35 147.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.95 124.94 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.37 115.96 25.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.778 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 122.382 2.055 . . . . 0.0 112.256 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.866 0.365 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.33 126.62 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t -120.56 147.7 44.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 t -98.87 115.7 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.12 161.14 4.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -50.98 -27.74 22.1 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.691 2.261 . . . . 0.0 112.2 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.98 -14.5 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.58 84.77 0.14 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.912 0.387 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.63 23.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.42 140.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.34 -164.36 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.554 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.49 146.39 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.66 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.432 . . . . 0.0 111.274 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 169.07 18.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.437 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 175.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.805 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 pp -94.3 33.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.44 36.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -151.81 -44.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.36 118.12 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -40.01 75.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 16.2 m -63.85 -38.78 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.02 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.12 -36.95 85.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -65.09 -43.93 90.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.171 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -62.73 -31.76 72.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.972 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 15.7 mt -71.18 -36.35 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mm -67.1 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -82.55 -24.64 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.191 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -91.01 -50.53 5.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.4 78.7 67.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.53 86.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 61.69 112.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.13 165.7 26.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 4.0 mt-30 -73.76 -31.81 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.74 -35.89 72.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.1 tp10 -68.05 -43.87 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.206 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.29 -37.61 80.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.448 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -41.69 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 46' ' ' GLU . 4.4 pp -72.0 -34.8 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.392 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -38.7 85.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.548 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.21 -33.27 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.41 45.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.035 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.98 120.74 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.7 m -67.41 76.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.61 144.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.5 -33.51 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.51 -68.99 0.16 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.42 -28.2 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -134.46 -43.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 m -97.94 100.28 8.37 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.15 149.66 64.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.509 2.139 . . . . 0.0 112.257 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 157.02 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.91 155.73 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 4.8 t -101.02 123.9 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.3 m -118.05 118.66 34.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--N 1.346 0.415 0 C-N-CA 122.404 2.069 . . . . 0.0 112.243 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.792 0.329 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.11 119.47 37.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -123.37 166.91 14.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -104.07 115.93 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.84 161.29 6.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.757 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.44 -25.37 18.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.65 2.233 . . . . 0.0 112.144 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.22 -11.35 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.59 84.15 0.16 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -154.3 25.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.12 137.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.39 -155.45 8.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.598 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -131.23 146.77 52.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.641 0.258 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.0 t -118.5 122.84 43.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 111.317 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.01 167.58 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -57.24 -179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 pp -94.44 21.71 6.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.206 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.43 27.15 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 110.715 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -45.82 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 127.43 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -39.33 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 10.6 p -68.24 -39.45 81.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.88 85.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.94 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.5 81.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -70.05 -32.71 70.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 111.154 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.453 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 15.6 mt -71.2 -36.9 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 mm -74.38 -26.21 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.28 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 0.11 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -78.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.27 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.66 -60.46 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 14.8 Cg_endo -56.95 132.33 50.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.495 2.13 . . . . 0.0 112.33 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.43 76.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -173.2 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.21 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -65.78 -31.5 72.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.06 -35.95 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.639 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -43.33 90.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -68.01 -37.98 82.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -68.67 -35.86 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.66 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.429 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -67.12 -37.52 84.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.675 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.53 -35.98 81.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -100.75 40.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.688 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.43 132.15 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.61 63.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.93 179.46 20.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -148.13 126.11 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 -39.7 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.0 -60.62 0.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -49.17 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.1 m -104.29 89.06 2.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.44 140.31 52.13 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.473 2.116 . . . . 0.0 112.25 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.31 158.51 39.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.044 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.08 157.77 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.2 m -102.37 123.85 46.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.5 115.02 27.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.39 2.06 . . . . 0.0 112.416 -179.746 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.735 0.302 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.22 127.84 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t -126.0 154.47 42.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 t -97.12 115.67 27.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.414 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -59.33 161.71 9.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.1 Cg_endo -50.43 -25.81 14.88 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.609 2.206 . . . . 0.0 112.287 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -83.85 -17.67 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t30 69.72 86.05 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -159.02 28.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm 63.19 142.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.17 -149.38 6.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.829 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 146.77 52.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.732 0.301 . . . . 0.0 110.832 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.73 41.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.949 0.404 . . . . 0.0 110.757 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -145.36 169.03 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.622 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -64.08 -176.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.621 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 pp -94.06 26.58 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.69 32.72 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -153.96 -44.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.34 124.93 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.45 -36.01 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 30.2 t -68.28 -38.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.89 85.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.73 -38.5 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.418 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -67.81 -31.95 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.986 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 9.6 mt -70.93 -39.71 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.383 . . . . 0.0 110.963 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.5 -30.78 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.8 t -81.83 -26.56 34.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -79.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.03 72.57 1.04 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.2 94.13 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.775 2.317 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -178.42 68.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.05 151.21 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.05 -32.9 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -59.93 -31.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -35.84 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.83 -43.3 79.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -67.9 -37.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -35.91 82.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tp -71.97 -39.18 69.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.329 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -67.12 -35.9 80.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -32.18 73.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.12 38.26 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.61 122.39 43.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 38.7 t -80.0 71.46 6.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.64 157.52 52.67 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -177.18 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.37 -26.92 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.78 136.97 7.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.323 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.43 -58.57 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -46.59 131.83 8.17 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.86 127.35 10.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.574 2.183 . . . . 0.0 112.672 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 162.97 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -148.04 143.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 111.528 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.1 t -100.91 123.98 45.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.8 129.21 25.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 C--N 1.347 0.469 0 C-N-CA 122.473 2.115 . . . . 0.0 112.317 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.852 0.358 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.76 121.8 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 52.7 t -117.82 154.06 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 t -105.7 115.87 30.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.66 160.64 18.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.739 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -50.6 -25.5 14.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -86.59 -13.95 44.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 66.74 85.38 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.829 0.347 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -149.79 22.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.77 133.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -158.28 8.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.684 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 m -128.31 146.64 50.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.524 0.202 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -118.48 124.27 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.473 . . . . 0.0 111.395 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -145.27 168.46 20.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.3 m -60.05 174.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.98 29.5 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.27 26.1 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -131.78 -52.15 0.99 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 115.6 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.95 -31.62 63.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.424 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.1 m -69.72 -38.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.2 t -66.93 -37.34 84.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.478 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.6 pttp -68.73 -32.44 72.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 111.021 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.458 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.5 mt -69.05 -38.84 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.94 -33.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -75.75 -27.5 58.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.982 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.37 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.91 88.11 3.26 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.97 103.52 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.517 2.144 . . . . 0.0 112.461 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 63.29 129.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.333 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.81 154.22 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 46' ' ' GLU . . . -55.01 -38.01 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 7.0 mt-30 -75.32 -36.88 61.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -70.18 -37.35 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.293 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -71.06 -40.57 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.694 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.95 -37.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.677 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -70.12 -41.15 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.396 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 46' ' ' GLU . 4.1 pp -70.26 -32.97 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.721 0.296 . . . . 0.0 110.49 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 6.8 ttt180 -64.06 -37.7 88.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.407 . . . . 0.0 110.5 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.3 -31.33 63.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.924 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -114.2 45.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . -127.71 141.82 51.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 111.322 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.4 m -93.2 25.38 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.08 143.23 18.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.581 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -108.33 -28.68 9.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.724 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.63 166.13 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.07 14.89 63.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.98 -18.5 11.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.645 0.26 . . . . 0.0 111.204 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.1 m -102.84 96.4 7.69 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.979 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -76.89 112.84 3.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.526 2.151 . . . . 0.0 112.748 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -138.15 163.54 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.611 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -151.15 147.34 15.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.405 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 68.5 m -100.81 123.88 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.909 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.47 114.88 34.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.482 2.121 . . . . 0.0 112.285 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.6 118.98 38.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.51 166.36 13.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.3 t -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -58.97 161.74 8.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.34 -25.11 17.39 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.617 2.211 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -86.56 -11.36 51.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 64.31 83.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -154.08 24.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm 62.58 139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.017 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.95 -154.37 8.17 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.603 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -130.18 146.58 51.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.643 0.259 . . . . 0.0 110.777 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.51 123.06 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.072 0.463 . . . . 0.0 111.243 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -144.15 169.09 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.631 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.3 m -59.68 178.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.66 29.73 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -139.11 34.86 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -142.18 -46.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.02 114.86 7.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -30.95 71.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 110.536 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 11.0 p -63.14 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.912 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.01 85.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -66.12 -42.23 89.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -64.0 -31.7 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.959 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 13.3 mt -68.51 -41.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.978 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.6 mm -62.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -73.61 -29.69 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -44.11 91.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -140.79 72.46 29.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.76 118.21 4.85 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 59.68 107.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -161.33 138.01 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.6 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.22 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 2.1 tt0 -72.62 -30.33 64.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.26 -35.81 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.65 -43.9 79.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -68.35 -37.15 80.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.71 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -66.89 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.42 -40.65 89.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.12 -40.22 86.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -72.94 -31.01 64.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -97.47 38.24 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.71 121.43 25.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.7 p -79.77 62.32 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.41 -175.49 21.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -143.91 100.69 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.386 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.28 169.79 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.9 -24.43 4.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.736 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -115.42 -37.62 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 111.018 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.7 m -109.84 91.31 10.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 150.48 67.94 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.525 2.15 . . . . 0.0 112.144 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -138.03 160.37 39.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.059 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.07 159.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.949 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.5 m -101.65 123.83 46.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 111.083 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.09 114.91 23.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.534 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.389 2.059 . . . . 0.0 112.255 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.817 0.341 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.49 117.93 33.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 p -121.5 167.01 13.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.46 115.88 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 160.64 9.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.787 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.67 -25.54 15.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.623 2.216 . . . . 0.0 112.062 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.72 -17.13 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.053 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 69.09 86.02 0.13 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -154.94 25.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 62.88 137.94 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 110.984 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.23 -160.97 14.24 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.619 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 m -122.91 146.7 47.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.54 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.23 122.05 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 111.214 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 169.24 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.462 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -56.16 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.43 30.41 2.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.76 29.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -130.29 -45.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 117.07 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -40.77 83.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 12.7 p -66.05 -38.98 83.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -65.02 -36.98 86.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.474 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.006 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 mt -70.99 -36.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.439 HG23 HD12 ' A' ' 36' ' ' ILE . 21.0 mm -73.87 -33.07 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 t -98.52 -4.63 33.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -76.59 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 16.2 mmtm -159.41 -66.04 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 62.7 Cg_endo -73.31 156.82 50.52 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.375 2.05 . . . . 0.0 112.331 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 179.64 77.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.789 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -121.24 -169.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -32.6 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.361 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -59.63 -31.55 69.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.925 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -36.06 73.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -69.0 -38.24 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.349 -179.491 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 4.3 ptmm? -68.11 -37.56 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.294 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -62.85 -46.46 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 3.4 pp -71.22 -33.2 69.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.081 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -67.42 -35.55 79.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -34.14 66.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 m -97.25 37.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.99 123.67 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.79 74.23 1.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.44 -178.09 20.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -138.21 66.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.38 156.13 19.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.11 -45.97 1.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -80.78 -28.69 36.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.49 86.23 1.67 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.23 133.34 26.28 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.569 2.179 . . . . 0.0 112.242 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -137.94 158.08 45.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.3 156.56 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.24 123.82 48.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.09 122.78 29.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.682 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo . . . . . 0 C--N 1.346 0.44 0 C-N-CA 122.356 2.037 . . . . 0.0 112.156 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.87 0.366 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.56 125.18 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.083 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -120.98 154.12 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -104.5 115.76 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -58.01 161.09 7.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.686 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.12 -25.4 16.84 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 112.143 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.73 -17.26 38.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.04 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 69.72 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.869 0.366 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.31 24.48 0.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 63.34 135.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.91 -162.18 17.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.728 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -123.33 146.87 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.663 0.268 . . . . 0.0 110.785 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.29 121.66 40.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 111.001 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -145.29 168.99 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.564 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -176.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.85 33.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.78 28.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -126.99 -47.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.92 138.92 56.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.07 -41.52 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.27 -39.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.91 84.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.793 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -63.91 -44.7 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -62.64 -32.11 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.577 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 29.6 mm -71.17 -34.95 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.054 0.454 . . . . 0.0 111.0 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.1 -33.05 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.185 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -105.61 0.28 26.32 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.577 ' HG2' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -50.33 -89.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.194 -0.316 . . . . 0.0 111.263 -179.367 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.504 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 177.53 -67.77 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.47 0.176 . . . . 0.0 110.57 179.547 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 36.9 Cg_endo -64.84 117.36 4.46 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.078 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -119.8 99.92 6.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -125.05 164.16 20.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.066 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.37 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.226 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.486 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 56.4 mt-30 -59.39 -29.72 67.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.939 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -70.4 -36.74 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 1.9 tt0 -69.36 -39.17 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.1 -37.64 81.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.071 0.462 . . . . 0.0 110.064 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -63.1 -45.41 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.416 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 3.9 pp -69.38 -37.54 77.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.884 0.374 . . . . 0.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.68 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.568 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -97.16 28.15 3.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 139.88 39.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 11.7 p -89.38 50.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.88 -150.62 1.93 Allowed Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.892 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.28 148.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.72 115.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.72 -25.84 26.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.605 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.35 -39.28 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.46 110.82 18.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.85 137.65 38.74 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.343 2.029 . . . . 0.0 112.36 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.76 161.24 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.39 155.48 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.246 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.2 t -100.93 132.08 46.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -131.59 114.88 15.73 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 C--N 1.346 0.439 0 C-N-CA 122.301 2.001 . . . . 0.0 112.358 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.731 0.3 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.62 121.55 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -118.9 160.37 22.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.5 t -106.92 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -59.9 162.07 10.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.16 -25.18 16.54 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.539 2.159 . . . . 0.0 112.056 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -83.74 -15.71 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 65.28 85.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -152.44 23.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 62.58 133.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.21 -172.22 29.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.674 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' CYS . 1.7 m -124.9 130.76 53.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 31.0 p -118.58 128.35 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.158 0.504 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 169.35 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.028 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -51.84 174.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.676 0.274 . . . . 0.0 110.565 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.83 41.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mt -147.22 30.19 0.95 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -133.01 -56.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.311 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.7 133.33 53.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -66.05 -44.76 83.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.711 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.408 ' O ' ' CG ' ' A' ' 34' ' ' LYS . 12.6 p -59.2 -38.88 76.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.47 -36.99 85.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -60.09 -35.3 74.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.562 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.73 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 19.5 mt -68.06 -35.45 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.423 ' HA ' ' HB3' ' A' ' 40' ' ' PRO . 36.5 mm -71.23 -25.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.4 p -88.11 -35.78 17.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.73 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -68.6 -63.38 1.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.317 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.12 80.21 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 36' ' ' ILE . 91.7 Cg_endo -81.4 -168.64 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 54.06 93.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.232 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -163.04 154.22 17.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -34.37 69.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.07 -34.77 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.98 -35.83 74.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.28 -42.04 88.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 7.2 ptpp? -68.15 -37.76 81.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.12 -38.68 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.245 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.38 -34.68 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -67.07 -37.25 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.752 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.06 -31.1 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -119.57 46.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.34 138.74 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.06 29.91 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.68 141.72 33.88 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.61 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.77 28.23 2.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 0.0 110.653 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.34 -46.52 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.768 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.54 33.56 1.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.585 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -179.4 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.1 t -56.59 117.85 19.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.96 114.78 4.07 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.45 2.1 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -138.08 156.52 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -141.8 150.17 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.94 127.51 47.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' THR . 1.2 m -117.63 116.67 36.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.346 0.43 0 C-N-CA 122.393 2.062 . . . . 0.0 112.302 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.821 0.343 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.97 118.42 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.61 167.04 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.999 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -106.29 116.01 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -58.92 161.1 9.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.71 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.3 Cg_endo -50.85 -25.4 15.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.691 2.261 . . . . 0.0 112.187 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -85.73 -15.25 42.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.88 85.44 0.14 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -155.2 25.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? 63.2 138.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.942 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.53 -168.19 29.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.599 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -119.96 146.67 45.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.582 0.229 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.5 121.84 41.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 111.278 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -143.38 162.64 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.0 m -55.01 -178.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pp -95.89 28.19 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -139.99 29.15 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -133.05 -53.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 125.91 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.746 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.44 -41.24 93.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.041 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.2 m -65.21 -40.63 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.98 86.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -36.25 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.402 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.5 pttt -68.65 -36.17 78.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.895 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.729 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 12.3 mt -66.33 -35.56 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.884 0.373 . . . . 0.0 111.023 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -67.51 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.526 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 p -77.34 -37.46 52.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.729 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -75.88 -22.56 56.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.378 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.19 78.72 2.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -85.83 28.12 0.57 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.855 2.37 . . . . 0.0 112.997 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.79 85.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.01 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -162.95 142.64 8.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.824 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.58 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -61.36 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -35.82 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 34.5 mt-10 -69.19 -42.48 75.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -68.11 -37.7 81.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -69.9 -41.33 74.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 46' ' ' GLU . 4.2 pp -72.05 -33.68 68.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.336 . . . . 0.0 110.254 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 10.0 ttm180 -67.2 -38.96 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.25 -31.67 64.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.577 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 2.1 t -109.49 46.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.397 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.03 113.26 14.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.93 45.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 165.41 -170.91 40.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.415 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -155.07 130.72 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -162.83 149.1 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.63 28.01 15.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.609 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.89 -45.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -110.21 71.85 0.64 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.35 168.68 18.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.558 2.172 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -137.94 160.17 40.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' SER . 21.5 t -142.29 147.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.7 m -100.74 123.81 45.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.078 0.466 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.88 115.19 32.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.615 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 C--N 1.347 0.475 0 C-N-CA 122.31 2.007 . . . . 0.0 112.422 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.1 117.93 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 9.5 t -114.83 148.55 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 t -96.82 115.78 28.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.716 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 162.25 11.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 -28.15 17.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.557 2.171 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -82.17 -17.25 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 69.52 86.04 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.794 0.33 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.59 25.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? 63.3 137.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.55 -154.77 7.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.824 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -130.15 146.95 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.594 0.235 . . . . 0.0 110.691 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 2.5 t -118.21 121.43 40.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -145.7 169.0 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.353 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.1 m -61.91 -179.26 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.411 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -95.23 27.31 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.973 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.2 28.39 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -127.69 -49.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.72 115.85 3.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -32.71 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.036 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 22.7 t -69.33 -43.7 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.19 -36.91 85.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.039 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -35.93 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.372 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 2.3 pttm -70.0 -33.72 72.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.989 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 12.2 mt -71.22 -41.25 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.0 mm -73.72 -34.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.957 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -82.3 -19.36 39.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.992 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 172.25 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.152 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 27.3 Cg_endo -62.28 152.02 78.92 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.406 2.071 . . . . 0.0 112.559 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.578 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.81 177.57 4.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.226 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.11 -32.36 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.264 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 63.6 mt-30 -59.35 -32.48 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.021 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.26 -36.0 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 8.0 tt0 -70.11 -38.75 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -68.08 -37.66 81.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.992 0.425 . . . . 0.0 110.321 179.532 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.5 -44.95 89.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 4.4 pp -72.03 -35.68 69.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 0.0 110.06 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.83 82.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -73.02 -39.71 65.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.2 m -99.17 39.03 1.32 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.13 104.61 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -63.41 79.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.94 143.79 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.32 -14.84 12.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.638 0.256 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.88 -46.77 74.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.88 -53.47 0.75 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.594 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -31.64 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.7 m -70.71 111.39 9.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -73.48 102.05 1.44 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.492 2.128 . . . . 0.0 112.413 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -138.06 154.77 49.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -146.93 156.87 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 61.9 m -106.84 123.81 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.85 114.95 33.71 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.744 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 122.342 2.028 . . . . 0.0 112.301 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.74 120.24 31.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -115.59 167.0 11.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 t -103.49 115.97 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.023 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 162.44 8.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.66 -27.95 21.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.238 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -82.77 -16.92 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 70.09 83.26 0.15 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.78 25.78 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.12 143.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.01 -156.08 10.76 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.642 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -129.24 146.46 51.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.696 0.284 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.67 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 111.081 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.33 169.05 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.644 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.6 m -60.96 -179.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pp -97.6 29.4 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.23 31.64 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -141.65 -45.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 95.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -30.64 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.9 m -66.21 -38.81 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.122 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -38.64 89.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.8 pttt -66.93 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.486 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.9 mt -67.74 -41.38 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.452 HG22 HD13 ' A' ' 36' ' ' ILE . 18.8 mm -65.22 -31.71 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.855 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t -99.64 0.01 41.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.72 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.94 -43.85 6.24 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.804 0.335 . . . . 0.0 111.216 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.67 84.9 9.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.53 -179.55 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.631 2.221 . . . . 0.0 112.222 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.509 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 0.7 OUTLIER 172.45 143.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.801 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.8 m -86.91 -105.35 0.07 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.977 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.79 70.98 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.462 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 31.3 mt-30 -64.17 -38.28 90.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.509 ' HB2' ' HB3' ' A' ' 41' ' ' ARG . 32.6 t70 -69.4 -35.99 76.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.054 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.3 mm-40 -64.28 -43.64 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -68.16 -37.68 81.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.127 0.489 . . . . 0.0 110.392 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -41.57 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.264 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 46' ' ' GLU . 4.2 pp -71.91 -33.36 68.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.477 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 28.2 ttt180 -67.31 -34.99 78.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.97 -34.23 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.12 39.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.13 129.28 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.2 m -64.99 81.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.35 167.05 9.55 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -126.27 88.6 2.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -52.72 6.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.92 -73.35 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.569 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.88 -21.87 58.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.647 0.26 . . . . 0.0 111.108 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.78 85.75 2.01 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.309 . . . . 0.0 111.03 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.28 127.85 13.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.488 2.125 . . . . 0.0 112.197 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.99 159.36 42.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -146.86 156.73 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 m -104.93 124.01 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -121.09 114.88 31.93 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.428 2.086 . . . . 0.0 112.294 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.91 121.62 29.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.04 167.12 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.6 t -105.04 115.65 30.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.402 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -63.7 161.76 33.76 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.696 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.3 Cg_endo -50.81 -25.36 15.31 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.589 2.193 . . . . 0.0 112.231 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -14.18 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 63.85 83.63 0.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -155.99 26.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.08 138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.014 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.48 -159.43 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.574 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 m -124.83 146.39 49.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.75 121.81 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.411 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 169.02 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.568 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.0 t -56.06 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.68 37.89 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.032 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -150.81 29.62 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -125.61 -48.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 125.62 27.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.89 -30.93 68.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 32.0 t -67.21 -42.56 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.92 85.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -68.31 -35.73 78.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.402 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 7.2 pttt -70.07 -32.75 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.096 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.447 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.9 mt -71.05 -36.93 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 111.003 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -75.08 -27.1 19.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.04 -0.18 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.514 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -80.73 0.15 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.44 -54.32 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.084 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.93 107.1 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.51 2.14 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -152.58 68.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 p -109.59 -176.33 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -32.99 61.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -64.39 -31.48 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -35.97 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.733 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.93 -42.43 90.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 17.8 ptpt -68.01 -37.78 81.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.313 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -41.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.076 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -38.37 75.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 110.492 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -67.32 -37.03 82.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.651 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.1 -28.01 62.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -96.76 38.12 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 56' ' ' PHE . . . -123.64 129.43 51.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.3 p -86.09 78.11 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' PHE . . . 103.46 179.9 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 36.8 m-85 -161.92 88.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.779 0.323 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' HB2' ' CG2' ' A' ' 60' ' ' THR . 1.9 t0 -62.48 -29.7 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.658 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.19 -41.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -19.0 8.65 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.41 ' CG2' ' HB2' ' A' ' 57' ' ' ASP . 14.6 t -94.62 107.65 31.74 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.737 0.303 . . . . 0.0 111.398 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.69 128.0 5.84 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.591 2.194 . . . . 0.0 112.15 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -138.04 155.57 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.253 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.89 159.66 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 12.9 t -106.21 123.79 48.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.95 132.82 22.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 C--N 1.345 0.35 0 C-N-CA 122.446 2.097 . . . . 0.0 112.427 -179.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.777 0.322 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.92 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 p -116.74 167.06 11.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -100.75 115.98 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.6 163.6 11.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.765 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -51.19 -26.77 20.65 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.454 2.102 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.65 -13.1 54.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.71 82.64 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -156.5 27.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.007 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.88 142.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.75 -152.26 7.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.701 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.13 146.73 51.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -118.67 121.9 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.118 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -138.95 167.09 22.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.799 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -58.22 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -96.24 31.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 mt -146.78 41.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -151.43 -42.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.47 116.84 2.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -36.64 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.4 m -67.93 -39.58 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.88 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -66.79 -37.32 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -68.89 -32.46 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 0.0 111.024 -179.737 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.3 mt -69.22 -38.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -69.87 -32.23 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.014 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -96.15 0.17 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.362 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -83.34 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.705 0.288 . . . . 0.0 110.829 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 174.78 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.093 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 35.4 Cg_endo -65.1 146.25 86.64 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.467 2.112 . . . . 0.0 112.53 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.9 98.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -174.03 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.081 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.95 -32.75 61.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.182 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.76 -32.33 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.0 -35.92 74.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.685 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -41.28 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -39.41 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -35.88 81.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.725 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.24 -34.7 73.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -37.47 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.703 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -98.25 34.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.2 138.24 52.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -57.23 95.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.77 179.78 4.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.22 101.68 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.55 166.62 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -130.43 44.37 1.22 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -106.04 87.29 2.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.48 129.42 17.86 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.468 2.112 . . . . 0.0 112.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -136.75 156.71 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.0 150.39 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.94 123.85 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.008 0.432 . . . . 0.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -126.6 122.06 23.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.679 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.346 2.03 . . . . 0.0 112.36 -179.728 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.63 124.82 28.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -118.79 152.91 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -99.47 115.89 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.99 160.71 8.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.788 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.69 -25.66 15.54 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.654 2.236 . . . . 0.0 112.11 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.41 -16.39 39.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.61 86.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.14 24.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? 62.75 139.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.37 -156.52 10.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.704 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 m -126.18 146.67 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.644 0.259 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.32 121.77 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -145.03 169.31 18.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.507 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 176.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.662 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.42 31.98 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 mt -142.97 31.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -139.32 -47.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -63.62 125.83 25.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -35.82 77.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.1 m -64.48 -42.19 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.42 -37.35 86.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.0 p -69.39 -36.91 77.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.416 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 31' ' ' VAL . 16.4 pttm -70.09 -32.6 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.024 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.0 mm -69.45 -35.93 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.78 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.4 mm -71.57 -30.68 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.6 p -96.07 -12.96 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.358 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.08 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -176.27 -53.79 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.084 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 32.2 Cg_exo -58.54 131.11 40.64 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.202 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -162.53 65.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -126.63 -176.83 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.97 62.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 11.8 mt-30 -63.67 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -70.23 -36.09 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -40.37 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 2.1 ptpt -68.0 -37.62 81.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.39 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.8 -44.62 85.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.06 -35.98 69.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.116 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -67.31 -35.29 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.572 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.52 -29.71 66.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.976 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -96.89 36.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.07 126.99 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.43 72.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.75 177.21 19.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -166.89 133.36 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 19.13 3.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 53.15 26.92 29.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.748 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -159.79 -45.19 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 111.055 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.2 t -84.62 111.76 37.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.51 117.29 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.712 2.275 . . . . 0.0 112.477 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -138.0 161.18 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.9 t -144.62 159.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 4.5 t -103.51 124.39 48.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 114.82 31.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.441 2.094 . . . . 0.0 112.337 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.761 0.315 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.65 117.75 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -123.24 159.62 28.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -94.41 115.84 28.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -61.04 161.73 15.21 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.787 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.0 Cg_endo -50.41 -25.85 14.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.601 2.2 . . . . 0.0 112.07 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.12 -19.01 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 69.33 80.84 0.18 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -152.88 23.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt 62.44 132.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.77 -160.33 10.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.719 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' CYS . 2.2 m -129.22 133.58 47.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 23.7 p -118.62 130.4 55.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.125 0.488 . . . . 0.0 111.516 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -145.05 169.5 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.143 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 t -49.95 176.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.91 30.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -144.82 31.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -134.4 -54.51 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.4 136.68 57.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.23 -31.52 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.731 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.472 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 31.9 t -70.23 -40.46 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.03 85.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -68.09 -36.44 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 3.0 pttt -69.95 -33.3 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.11 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 17.2 mt -70.72 -36.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -74.11 -29.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.0 t -88.45 -30.96 19.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -66.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -177.18 80.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.77 83.28 2.25 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.444 2.096 . . . . 0.0 112.413 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -173.22 70.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.03 135.06 19.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.432 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.84 -32.02 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.43 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.06 -34.35 64.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -35.96 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -71.07 -40.94 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.3 ptpm? -68.21 -37.6 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.447 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.77 -43.22 80.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.406 ' CD1' ' N ' ' A' ' 50' ' ' ARG . 4.5 pp -72.21 -39.47 68.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.931 0.396 . . . . 0.0 110.005 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 3.2 mtt85 -67.47 -38.2 84.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.694 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -73.21 -33.18 65.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' CYS . 1.4 m -97.71 37.92 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.131 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.94 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.3 p -79.71 60.66 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.39 143.85 5.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -112.05 106.43 15.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.17 136.96 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.44 45.51 2.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -158.11 -45.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -127.07 101.74 25.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.54 149.87 79.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.097 . . . . 0.0 112.116 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -135.82 155.26 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.46 154.28 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 3.7 t -104.27 123.97 48.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -116.18 114.57 40.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.112 . . . . 0.0 112.235 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.771 0.32 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 123.15 26.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.74 167.17 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.44 115.88 30.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 163.23 10.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.69 -26.92 18.38 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -83.83 -16.7 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.55 85.87 0.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -154.02 24.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.75 133.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.22 -155.99 8.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.94 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 m -130.85 147.5 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -117.49 122.6 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.12 0.486 . . . . 0.0 111.018 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -129.28 164.76 22.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -173.41 0.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.088 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -82.52 4.6 23.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.352 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.08 23.39 3.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.41 -39.62 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.03 118.28 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -39.31 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 m -63.1 -38.72 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.996 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.06 85.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.832 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -66.84 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.25 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -65.14 -31.9 73.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 -179.777 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.473 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.0 mm -70.21 -41.6 78.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 110.964 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.412 HG22 HD11 ' A' ' 36' ' ' ILE . 27.5 mm -62.3 -33.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.917 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p -83.9 -26.39 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -73.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.93 93.59 1.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.78 -157.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.697 2.264 . . . . 0.0 112.511 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 45' ' ' ASP . 0.1 OUTLIER 176.12 159.04 0.28 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -75.32 -124.15 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.71 -32.66 59.87 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-O 120.746 0.308 . . . . 0.0 111.562 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.926 0.393 . . . . 0.0 110.997 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 17.5 t70 -70.14 -35.94 74.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -66.71 -40.74 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 8.4 ptmt -66.54 -37.41 84.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.302 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -39.91 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 45' ' ' ASP . 0.8 OUTLIER -65.97 -44.05 86.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.411 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -39.31 93.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -72.05 -31.15 65.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -106.81 42.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.34 152.82 35.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.0 p -92.29 23.79 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.498 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.14 -137.86 32.32 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.815 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 70.13 -64.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.02 143.97 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.92 -38.8 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -84.33 -60.42 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 m -60.5 113.27 7.11 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.38 131.95 49.32 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.44 2.093 . . . . 0.0 112.32 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -137.51 146.23 43.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.697 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -135.33 152.6 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.942 0.401 . . . . 0.0 111.307 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.1 123.92 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.318 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.3 m -116.32 114.47 40.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.483 2.122 . . . . 0.0 112.474 -179.763 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.27 121.09 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 p -119.09 166.92 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -103.78 115.8 31.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -59.24 161.97 8.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.755 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.44 -24.98 17.62 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.622 2.215 . . . . 0.0 112.21 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -10.65 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.58 83.84 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.923 0.392 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.45 25.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.006 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 141.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.52 -165.85 30.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.67 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -119.25 146.58 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 110.706 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.53 121.92 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 169.02 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -60.18 177.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.787 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.57 35.87 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -132.42 35.49 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -158.23 -42.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.41 136.03 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.86 -43.04 94.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.43 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 10.1 t -68.34 -38.8 79.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.19 -36.82 85.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.761 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -41.22 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.353 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 5.7 pttt -64.7 -32.36 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.466 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 11.3 mt -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.3 mm -66.09 -34.91 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -78.8 -21.56 47.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -89.13 -58.87 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.917 0.389 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 84.95 0.1 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -82.05 66.59 8.33 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.413 2.075 . . . . 0.0 112.421 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.17 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -162.85 150.66 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.3 -33.01 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.56 -31.44 66.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -36.03 74.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 2.2 tm-20 -67.04 -41.44 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 1.4 ptmt -68.12 -37.23 80.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.01 0.433 . . . . 0.0 110.695 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -70.05 -41.98 73.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' ' HA ' ' A' ' 46' ' ' GLU . 4.5 pp -72.28 -40.1 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.575 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -67.99 -34.11 75.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.883 0.373 . . . . 0.0 110.581 179.447 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -103.37 40.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.26 142.79 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 p -94.68 30.14 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.65 -140.76 45.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.699 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 63.11 168.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.83 -49.69 2.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -34.81 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.28 141.83 23.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.65 140.2 29.16 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.158 . . . . 0.0 112.39 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -138.0 154.94 49.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.1 t -144.0 158.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.5 m -100.85 131.25 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.68 115.75 19.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.465 2.11 . . . . 0.0 112.297 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.864 0.364 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.7 118.8 28.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.1 167.16 10.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 t -112.12 115.66 29.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.34 160.76 77.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.24 -26.97 8.9 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.488 2.126 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -81.53 -17.84 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 64.08 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.06 23.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.079 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 62.58 132.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.47 -174.95 33.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.587 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -118.48 146.31 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.7 p -118.79 126.26 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 111.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 169.23 18.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.627 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -55.34 -175.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 pp -97.41 31.61 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.7 mt -146.41 28.7 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.46 -51.29 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 119.59 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.72 -38.23 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.3 m -63.72 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.24 -36.82 78.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -66.08 -38.69 88.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.479 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -68.42 -31.99 71.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.469 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.9 mm -69.6 -37.04 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.4 mm -71.82 -30.88 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.6 -19.79 23.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -65.94 0.48 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 179.29 -55.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.987 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 71.7 Cg_exo -48.93 131.82 25.93 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.502 2.135 . . . . 0.0 112.426 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -170.4 88.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.64 -170.75 3.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.98 -32.96 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -59.68 -31.78 69.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.38 -35.78 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 17.4 mt-10 -68.71 -38.73 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.345 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.7 ptpt -68.16 -37.6 81.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.924 0.392 . . . . 0.0 110.321 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -44.72 88.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 46' ' ' GLU . 4.4 pp -71.48 -32.95 68.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.077 0.465 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -67.34 -34.69 77.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.629 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -33.63 69.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -112.74 46.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.682 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -108.54 146.87 32.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 70.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.064 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.34 -166.82 12.88 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.696 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -111.1 -20.38 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 111.252 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.55 127.0 16.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.86 0.362 . . . . 0.0 111.184 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.89 -34.94 7.41 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -31.21 67.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.89 98.53 7.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.64 107.49 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.387 2.058 . . . . 0.0 112.285 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -135.84 147.47 48.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.977 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.67 156.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.0 123.97 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.62 114.8 39.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.456 2.104 . . . . 0.0 112.315 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.98 123.96 29.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.1 p -116.48 167.02 11.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 t -101.45 116.02 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 163.24 15.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.56 -26.62 17.14 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.505 2.137 . . . . 0.0 112.299 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.24 -17.92 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.52 83.75 0.16 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.0 29.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.783 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.95 142.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.61 -149.75 6.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -118.41 121.68 40.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -145.28 165.56 28.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.661 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 p -61.79 -178.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.774 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.99 33.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.1 mt -141.96 28.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -130.64 -53.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.26 112.77 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.714 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -36.96 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 11.7 p -68.69 -40.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.02 85.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -37.2 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.482 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG2' ' HA ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -69.77 -33.03 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.693 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.416 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 12.4 mt -70.63 -35.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.4 mm -74.45 -32.79 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.02 0.12 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.325 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -79.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 111.036 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -179.33 -61.59 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 13.7 Cg_endo -56.87 140.48 91.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.551 2.167 . . . . 0.0 112.403 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.45 90.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.43 -174.65 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.66 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.351 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 6.0 mt-30 -59.76 -29.68 68.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.84 -35.97 72.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.33 -44.02 76.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.46 -37.59 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.553 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -67.27 -35.87 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 tp -72.2 -33.02 67.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.258 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -66.93 -35.35 79.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.91 -34.95 69.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.47 38.09 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -115.67 105.22 12.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.038 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -54.91 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.146 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.79 -177.82 38.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.636 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -137.22 111.06 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.62 -72.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.66 -48.2 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.86 -38.64 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -95.69 102.46 10.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.94 135.88 36.5 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.389 2.059 . . . . 0.0 112.285 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 157.24 46.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.75 152.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.05 124.28 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.41 116.94 23.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--N 1.347 0.468 0 C-N-CA 122.394 2.062 . . . . 0.0 112.146 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.841 0.353 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.76 122.4 33.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 31.7 p -115.64 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.04 115.81 30.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -59.85 162.07 10.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.47 -25.02 17.87 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.629 2.219 . . . . 0.0 112.098 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.96 -11.51 52.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 63.68 81.12 0.21 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.876 0.37 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.497 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.6 m-20 -149.61 24.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.6 141.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.07 -171.87 36.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.563 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 m -115.13 146.68 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.689 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 1.5 t -118.63 121.85 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.017 0.437 . . . . 0.0 111.301 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -145.08 168.66 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.537 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m -58.03 179.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 26' ' ' LEU . 1.4 pp -93.61 29.66 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.245 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.9 29.08 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -127.49 -49.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 133.02 55.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -43.14 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 32' ' ' ALA . 9.0 p -67.49 -42.06 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.617 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 31' ' ' VAL . . . -65.22 -36.74 85.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.688 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 m -66.83 -36.27 81.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.546 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -70.02 -32.77 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.107 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.48 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.1 mm -70.06 -36.06 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 32' ' ' ALA . 16.3 mm -73.54 -29.96 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -102.65 -0.0 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.67 -82.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.74 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.983 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 37.9 Cg_endo -66.17 143.38 71.06 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.375 2.05 . . . . 0.0 112.509 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.71 75.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.693 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -93.82 179.1 5.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.999 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.438 ' H ' HG22 ' A' ' 42' ' ' THR . . . -65.05 -32.63 74.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.21 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.444 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -35.93 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' HD21 ' A' ' 49' ' ' LEU . 22.9 mm-40 -68.7 -38.59 80.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.307 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.99 -37.75 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.887 0.375 . . . . 0.0 110.459 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -45.32 86.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.9 pp -72.13 -35.52 69.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.018 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.8 mtm-85 -67.41 -36.5 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.5 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.06 -33.97 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 m -97.56 37.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.78 130.94 56.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.73 50.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.44 144.24 10.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.581 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.99 31.45 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.63 156.46 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -26.86 6.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.568 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -83.6 -38.88 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.014 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.01 90.04 3.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.31 146.43 56.76 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.484 2.123 . . . . 0.0 112.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 163.2 32.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -149.35 147.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.95 124.94 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.37 115.96 25.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.778 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 122.382 2.055 . . . . 0.0 112.256 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.866 0.365 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.33 126.62 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 1.4 t -120.56 147.7 44.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 14' ' ' THR . 11.0 t -98.87 115.7 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.12 161.14 4.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -50.98 -27.74 22.1 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.691 2.261 . . . . 0.0 112.2 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.98 -14.5 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.58 84.77 0.14 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.912 0.387 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.63 23.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.42 140.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.34 -164.36 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.554 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.49 146.39 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -118.66 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.432 . . . . 0.0 111.274 -179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 169.07 18.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.437 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 175.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.805 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 26' ' ' LEU . 2.1 pp -94.3 33.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -140.44 36.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.442 ' HG3' HD12 ' A' ' 27' ' ' LEU . 17.7 mt-30 -151.81 -44.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.36 118.12 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -40.01 75.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 16.2 m -63.85 -38.78 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.02 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.12 -36.95 85.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -65.09 -43.93 90.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.171 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -62.73 -31.76 72.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.972 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 32' ' ' ALA . 15.7 mt -71.18 -36.35 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 32' ' ' ALA . 28.9 mm -67.1 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -82.55 -24.64 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.191 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -91.01 -50.53 5.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.4 78.7 67.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.53 86.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 61.69 112.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.13 165.7 26.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 4.0 mt-30 -73.76 -31.81 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.546 ' OD1' HG21 ' A' ' 35' ' ' ILE . 3.3 t70 -70.74 -35.89 72.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.1 tp10 -68.05 -43.87 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.206 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.29 -37.61 80.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.448 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -41.69 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -72.0 -34.8 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.392 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.83 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -67.17 -38.7 85.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.548 179.44 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.21 -33.27 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.41 45.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.035 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -116.98 120.74 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.7 m -67.41 76.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.61 144.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.5 -33.51 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.51 -68.99 0.16 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.42 -28.2 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -134.46 -43.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 m -97.94 100.28 8.37 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.15 149.66 64.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.509 2.139 . . . . 0.0 112.257 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 157.02 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.4 t -140.91 155.73 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.422 ' N ' HG12 ' A' ' 63' ' ' VAL . 4.8 t -101.02 123.9 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.3 m -118.05 118.66 34.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.535 ' HB3' HD22 ' A' ' 15' ' ' LEU . 56.9 Cg_endo . . . . . 0 C--N 1.346 0.415 0 C-N-CA 122.404 2.069 . . . . 0.0 112.243 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.792 0.329 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.11 119.47 37.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -123.37 166.91 14.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -104.07 115.93 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -57.84 161.29 6.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.757 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.44 -25.37 18.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.65 2.233 . . . . 0.0 112.144 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -87.22 -11.35 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.59 84.15 0.16 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.553 ' HB2' HD11 ' A' ' 15' ' ' LEU . 44.4 m-20 -154.3 25.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.12 137.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.39 -155.45 8.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.598 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -131.23 146.77 52.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.641 0.258 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.0 t -118.5 122.84 43.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 111.317 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.01 167.58 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -57.24 -179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 61' ' ' PRO . 4.1 pp -94.44 21.71 6.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.206 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.43 27.15 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 110.715 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -45.82 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 127.43 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -39.33 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 10.6 p -68.24 -39.45 81.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.619 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.28 -36.88 85.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.94 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.5 81.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -70.05 -32.71 70.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 111.154 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 32' ' ' ALA . 15.6 mt -71.2 -36.9 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 32' ' ' ALA . 15.3 mm -74.38 -26.21 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 0.11 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -78.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.27 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.66 -60.46 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 14.8 Cg_endo -56.95 132.33 50.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.495 2.13 . . . . 0.0 112.33 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.43 76.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -173.2 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.21 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -65.78 -31.5 72.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.06 -35.95 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.639 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -43.33 90.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -68.01 -37.98 82.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -68.67 -35.86 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.66 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.429 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -67.12 -37.52 84.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.675 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.53 -35.98 81.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -100.75 40.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.688 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.43 132.15 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.61 63.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.93 179.46 20.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -148.13 126.11 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 -39.7 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.0 -60.62 0.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -49.17 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.1 m -104.29 89.06 2.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.656 ' HB2' HD23 ' A' ' 26' ' ' LEU . 41.6 Cg_endo -67.44 140.31 52.13 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.473 2.116 . . . . 0.0 112.25 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.31 158.51 39.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.044 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.6 t -142.08 157.77 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.449 ' N ' HG12 ' A' ' 63' ' ' VAL . 3.2 m -102.37 123.85 46.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.5 115.02 27.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.39 2.06 . . . . 0.0 112.416 -179.746 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.735 0.302 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.22 127.84 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t -126.0 154.47 42.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 t -97.12 115.67 27.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -59.33 161.71 9.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.1 Cg_endo -50.43 -25.81 14.88 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.609 2.206 . . . . 0.0 112.287 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -83.85 -17.67 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t30 69.72 86.05 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -159.02 28.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm 63.19 142.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.17 -149.38 6.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.829 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 146.77 52.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.732 0.301 . . . . 0.0 110.832 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.73 41.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.949 0.404 . . . . 0.0 110.757 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -145.36 169.03 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.622 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -64.08 -176.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.621 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.682 HD23 ' HB2' ' A' ' 61' ' ' PRO . 4.5 pp -94.06 26.58 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.69 32.72 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -153.96 -44.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.34 124.93 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.45 -36.01 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.823 HG13 ' HE2' ' A' ' 34' ' ' LYS . 30.2 t -68.28 -38.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.827 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.96 -36.89 85.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.73 -38.5 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.418 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.823 ' HE2' HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -67.81 -31.95 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.986 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 32' ' ' ALA . 9.6 mt -70.93 -39.71 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.383 . . . . 0.0 110.963 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 32' ' ' ALA . 18.9 mm -69.5 -30.78 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.8 t -81.83 -26.56 34.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -79.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.03 72.57 1.04 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.2 94.13 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.775 2.317 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 42' ' ' THR . 4.1 ttm180 -178.42 68.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -170.05 151.21 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.05 -32.9 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -59.93 -31.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -35.84 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.83 -43.3 79.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -67.9 -37.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -35.91 82.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.714 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 2.7 tp -71.97 -39.18 69.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.329 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -67.12 -35.9 80.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -32.18 73.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.12 38.26 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -100.61 122.39 43.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 62' ' ' LYS . 38.7 t -80.0 71.46 6.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.64 157.52 52.67 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -177.18 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.37 -26.92 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.78 136.97 7.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.323 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.43 -58.57 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -46.59 131.83 8.17 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.682 ' HB2' HD23 ' A' ' 26' ' ' LEU . 74.0 Cg_endo -74.86 127.35 10.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.574 2.183 . . . . 0.0 112.672 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -138.16 162.97 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 179.751 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -148.04 143.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 111.528 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.1 t -100.91 123.98 45.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.8 129.21 25.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.835 ' HB3' HD22 ' A' ' 15' ' ' LEU . 74.3 Cg_endo . . . . . 0 C--N 1.347 0.469 0 C-N-CA 122.473 2.115 . . . . 0.0 112.317 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.852 0.358 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.76 121.8 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 52.7 t -117.82 154.06 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 t -105.7 115.87 30.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -60.66 160.64 18.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.739 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -50.6 -25.5 14.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HB3' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.59 -13.95 44.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 66.74 85.38 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.829 0.347 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.2 m-20 -149.79 22.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.77 133.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -158.28 8.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.684 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 m -128.31 146.64 50.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.524 0.202 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -118.48 124.27 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.473 . . . . 0.0 111.395 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -145.27 168.46 20.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.3 m -60.05 174.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 61' ' ' PRO . 1.0 OUTLIER -93.98 29.5 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.085 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.27 26.1 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -131.78 -52.15 0.99 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 115.6 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.95 -31.62 63.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.1 m -69.72 -38.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.872 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.2 t -66.93 -37.34 84.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.478 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.6 pttp -68.73 -32.44 72.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 111.021 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.5 mt -69.05 -38.84 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 32' ' ' ALA . 18.7 mm -66.94 -33.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -75.75 -27.5 58.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.982 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.37 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.91 88.11 3.26 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.97 103.52 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.517 2.144 . . . . 0.0 112.461 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 63.29 129.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.333 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.81 154.22 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 46' ' ' GLU . . . -55.01 -38.01 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 7.0 mt-30 -75.32 -36.88 61.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -70.18 -37.35 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.293 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -71.06 -40.57 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.694 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.95 -37.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.677 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -70.12 -41.15 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.396 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.1 pp -70.26 -32.97 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.721 0.296 . . . . 0.0 110.49 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.864 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.8 ttt180 -64.06 -37.7 88.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.407 . . . . 0.0 110.5 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.3 -31.33 63.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.924 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -114.2 45.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -127.71 141.82 51.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 111.322 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.4 m -93.2 25.38 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.08 143.23 18.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.581 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -108.33 -28.68 9.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.724 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.63 166.13 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.07 14.89 63.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.98 -18.5 11.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.645 0.26 . . . . 0.0 111.204 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.1 m -102.84 96.4 7.69 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.979 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.499 ' HB2' HD21 ' A' ' 26' ' ' LEU . 75.4 Cg_endo -76.89 112.84 3.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.526 2.151 . . . . 0.0 112.748 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -138.15 163.54 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.611 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -151.15 147.34 15.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.405 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 68.5 m -100.81 123.88 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.909 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.47 114.88 34.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HB3' HD22 ' A' ' 15' ' ' LEU . 43.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.482 2.121 . . . . 0.0 112.285 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -109.6 118.98 38.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.51 166.36 13.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 14' ' ' THR . 11.3 t -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -58.97 161.74 8.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.34 -25.11 17.39 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.617 2.211 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -86.56 -11.36 51.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 64.31 83.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.502 ' HB2' HD11 ' A' ' 15' ' ' LEU . 64.1 m-20 -154.08 24.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm 62.58 139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.017 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.95 -154.37 8.17 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.603 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 2.2 m -130.18 146.58 51.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.643 0.259 . . . . 0.0 110.777 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.51 123.06 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.072 0.463 . . . . 0.0 111.243 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -144.15 169.09 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.631 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.3 m -59.68 178.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.66 29.73 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -139.11 34.86 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -142.18 -46.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.492 ' SG ' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.02 114.86 7.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -30.95 71.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 110.536 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.492 HG12 ' SG ' ' A' ' 29' ' ' CYS . 11.0 p -63.14 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.912 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.933 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.37 -37.01 85.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -66.12 -42.23 89.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -64.0 -31.7 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.959 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 32' ' ' ALA . 13.3 mt -68.51 -41.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.978 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 32' ' ' ALA . 21.6 mm -62.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -73.61 -29.69 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -44.11 91.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -140.79 72.46 29.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.76 118.21 4.85 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 42' ' ' THR . 4.5 mtp85 59.68 107.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -161.33 138.01 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.6 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.22 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.437 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 2.1 tt0 -72.62 -30.33 64.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.26 -35.81 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.65 -43.9 79.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -68.35 -37.15 80.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.71 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.438 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -66.89 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.2 tp -66.42 -40.65 89.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.12 -40.22 86.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -72.94 -31.01 64.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -97.47 38.24 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.71 121.43 25.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.7 p -79.77 62.32 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.41 -175.49 21.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -143.91 100.69 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.386 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.28 169.79 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.9 -24.43 4.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.736 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -115.42 -37.62 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 111.018 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.7 m -109.84 91.31 10.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 150.48 67.94 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.525 2.15 . . . . 0.0 112.144 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -138.03 160.37 39.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.059 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.8 t -145.07 159.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.949 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.5 m -101.65 123.83 46.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 111.083 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.09 114.91 23.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.534 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.555 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.2 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.389 2.059 . . . . 0.0 112.255 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 22' ' ' THR . 1.2 mt-30 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.817 0.341 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.49 117.93 33.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 p -121.5 167.01 13.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.46 115.88 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -58.47 160.64 9.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.787 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.67 -25.54 15.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.623 2.216 . . . . 0.0 112.062 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' CB ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -84.72 -17.13 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.053 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 69.09 86.02 0.13 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -154.94 25.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 62.88 137.94 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 110.984 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.23 -160.97 14.24 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.619 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' GLN . 16.7 m -122.91 146.7 47.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.54 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.23 122.05 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 111.214 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 169.24 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.462 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -56.16 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.8 pp -96.43 30.41 2.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.423 HD12 ' HG2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -146.76 29.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' HG2' HD12 ' A' ' 27' ' ' LEU . 3.8 mm-40 -130.29 -45.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 117.07 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -40.77 83.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.702 HG23 ' HE2' ' A' ' 34' ' ' LYS . 12.7 p -66.05 -38.98 83.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.02 -36.98 86.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.474 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.702 ' HE2' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.006 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 32' ' ' ALA . 14.4 mt -70.99 -36.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 32' ' ' ALA . 21.0 mm -73.87 -33.07 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 t -98.52 -4.63 33.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -76.59 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 16.2 mmtm -159.41 -66.04 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 62.7 Cg_endo -73.31 156.82 50.52 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.375 2.05 . . . . 0.0 112.331 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 179.64 77.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.789 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -121.24 -169.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -32.6 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.361 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -59.63 -31.55 69.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.925 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -36.06 73.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -69.0 -38.24 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.349 -179.491 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 4.3 ptmm? -68.11 -37.56 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.294 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -62.85 -46.46 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.4 pp -71.22 -33.2 69.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.081 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.5 ' N ' HD12 ' A' ' 49' ' ' LEU . 11.1 mmm180 -67.42 -35.55 79.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -34.14 66.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 m -97.25 37.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.99 123.67 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.79 74.23 1.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.44 -178.09 20.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -138.21 66.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.38 156.13 19.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.11 -45.97 1.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -80.78 -28.69 36.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.49 86.23 1.67 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.612 ' HB2' HD23 ' A' ' 26' ' ' LEU . 51.6 Cg_endo -69.23 133.34 26.28 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.569 2.179 . . . . 0.0 112.242 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -137.94 158.08 45.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -144.3 156.56 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.443 ' N ' HG12 ' A' ' 63' ' ' VAL . 8.2 t -105.24 123.82 48.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.09 122.78 29.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.682 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.531 ' HB3' HD22 ' A' ' 15' ' ' LEU . 44.9 Cg_endo . . . . . 0 C--N 1.346 0.44 0 C-N-CA 122.356 2.037 . . . . 0.0 112.156 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.87 0.366 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.56 125.18 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.083 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -120.98 154.12 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 14' ' ' THR . 9.7 t -104.5 115.76 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -58.01 161.09 7.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.686 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.12 -25.4 16.84 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 112.143 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.686 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -84.73 -17.26 38.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.04 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 69.72 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.869 0.366 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.31 24.48 0.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 63.34 135.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.91 -162.18 17.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.728 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -123.33 146.87 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.663 0.268 . . . . 0.0 110.785 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.29 121.66 40.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 111.001 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -145.29 168.99 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.564 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -176.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.799 HD12 HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -95.85 33.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.78 28.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -126.99 -47.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 31' ' ' VAL . 1.8 t -67.92 138.92 56.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.07 -41.52 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.432 HG22 ' SG ' ' A' ' 29' ' ' CYS . 27.8 m -66.27 -39.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.751 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.91 84.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.793 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -63.91 -44.7 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -62.64 -32.11 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.588 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 29.6 mm -71.17 -34.95 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.054 0.454 . . . . 0.0 111.0 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.799 HD11 HD12 ' A' ' 26' ' ' LEU . 20.8 mm -75.1 -33.05 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.185 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -105.61 0.28 26.32 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -50.33 -89.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.194 -0.316 . . . . 0.0 111.263 -179.367 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.504 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 177.53 -67.77 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.47 0.176 . . . . 0.0 110.57 179.547 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 36.9 Cg_endo -64.84 117.36 4.46 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.078 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -119.8 99.92 6.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 43' ' ' ALA . 9.6 m -125.05 164.16 20.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 42' ' ' THR . . . -56.3 -32.37 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.226 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 56.4 mt-30 -59.39 -29.72 67.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.939 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -70.4 -36.74 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 1.9 tt0 -69.36 -39.17 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.1 -37.64 81.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.071 0.462 . . . . 0.0 110.064 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.0 t80 -63.1 -45.41 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.416 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.9 pp -69.38 -37.54 77.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.884 0.374 . . . . 0.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.694 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -67.38 -37.68 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.568 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -97.16 28.15 3.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 139.88 39.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 11.7 p -89.38 50.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.88 -150.62 1.93 Allowed Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.892 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.28 148.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.72 115.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.72 -25.84 26.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.605 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.35 -39.28 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.46 110.82 18.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.85 137.65 38.74 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.343 2.029 . . . . 0.0 112.36 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.76 161.24 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.5 t -146.39 155.48 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.246 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.428 ' N ' HG12 ' A' ' 63' ' ' VAL . 5.2 t -100.93 132.08 46.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -131.59 114.88 15.73 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.675 ' HB3' HD22 ' A' ' 15' ' ' LEU . 38.3 Cg_endo . . . . . 0 C--N 1.346 0.439 0 C-N-CA 122.301 2.001 . . . . 0.0 112.358 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.731 0.3 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.62 121.55 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -118.9 160.37 22.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 14' ' ' THR . 11.5 t -106.92 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.9 162.07 10.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.16 -25.18 16.54 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.539 2.159 . . . . 0.0 112.056 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' CB ' HD12 ' A' ' 15' ' ' LEU . 5.9 t30 -83.74 -15.71 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 65.28 85.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -152.44 23.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 62.58 133.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.21 -172.22 29.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.674 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -124.9 130.76 53.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 31.0 p -118.58 128.35 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.158 0.504 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 169.35 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.028 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -51.84 174.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.676 0.274 . . . . 0.0 110.565 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.83 41.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mt -147.22 30.19 0.95 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -133.01 -56.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.311 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.458 ' SG ' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -56.7 133.33 53.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -66.05 -44.76 83.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.711 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.824 HG23 ' HE3' ' A' ' 34' ' ' LYS . 12.6 p -59.2 -38.88 76.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.785 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.47 -36.99 85.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.824 ' HE3' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -60.09 -35.3 74.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.562 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 32' ' ' ALA . 19.5 mt -68.06 -35.45 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 40' ' ' PRO . 36.5 mm -71.23 -25.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.4 p -88.11 -35.78 17.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.735 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -68.6 -63.38 1.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.317 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.12 80.21 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HB3' HD13 ' A' ' 36' ' ' ILE . 91.7 Cg_endo -81.4 -168.64 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 54.06 93.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.232 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -163.04 154.22 17.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -34.37 69.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.07 -34.77 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.98 -35.83 74.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.712 ' HA ' HD23 ' A' ' 49' ' ' LEU . 37.9 mt-10 -66.28 -42.04 88.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 7.2 ptpp? -68.15 -37.76 81.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.12 -38.68 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.245 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.712 HD23 ' HA ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -70.38 -34.68 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -67.07 -37.25 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.752 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.06 -31.1 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -119.57 46.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -102.34 138.74 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -104.06 29.91 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.68 141.72 33.88 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.61 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.77 28.23 2.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 0.0 110.653 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.34 -46.52 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.768 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.54 33.56 1.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.585 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -179.4 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 60' ' ' THR . 8.1 t -56.59 117.85 19.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.96 114.78 4.07 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.45 2.1 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -138.08 156.52 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -141.8 150.17 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.94 127.51 47.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -117.63 116.67 36.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HB3' HD22 ' A' ' 15' ' ' LEU . 61.3 Cg_endo . . . . . 0 C--N 1.346 0.43 0 C-N-CA 122.393 2.062 . . . . 0.0 112.302 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.821 0.343 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.97 118.42 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.61 167.04 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.999 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -106.29 116.01 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -58.92 161.1 9.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.71 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.3 Cg_endo -50.85 -25.4 15.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.691 2.261 . . . . 0.0 112.187 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.829 ' HB2' HD12 ' A' ' 15' ' ' LEU . 5.0 m-20 -85.73 -15.25 42.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.88 85.44 0.14 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.459 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.5 m-20 -155.2 25.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? 63.2 138.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.942 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.53 -168.19 29.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.599 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -119.96 146.67 45.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.582 0.229 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.5 121.84 41.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 111.278 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -143.38 162.64 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.0 m -55.01 -178.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.5 pp -95.89 28.19 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -139.99 29.15 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -133.05 -53.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 125.91 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.746 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.44 -41.24 93.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.041 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 32' ' ' ALA . 28.2 m -65.21 -40.63 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.763 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.07 -36.98 86.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -36.25 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.402 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.515 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.5 pttt -68.65 -36.17 78.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.895 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.3 mt -66.33 -35.56 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.884 0.373 . . . . 0.0 111.023 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -67.51 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.526 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 p -77.34 -37.46 52.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.735 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -75.88 -22.56 56.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.378 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.19 78.72 2.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -85.83 28.12 0.57 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.855 2.37 . . . . 0.0 112.997 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.79 85.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.01 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -162.95 142.64 8.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.824 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.58 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -61.36 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -35.82 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 34.5 mt-10 -69.19 -42.48 75.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -68.11 -37.7 81.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -69.9 -41.33 74.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.845 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.2 pp -72.05 -33.68 68.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.336 . . . . 0.0 110.254 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.845 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 ttm180 -67.2 -38.96 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.25 -31.67 64.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.577 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 2.1 t -109.49 46.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.397 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -129.03 113.26 14.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.93 45.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 165.41 -170.91 40.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.415 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -155.07 130.72 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -162.83 149.1 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.63 28.01 15.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.609 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.89 -45.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -110.21 71.85 0.64 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 48.9 Cg_endo -68.35 168.68 18.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.558 2.172 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -137.94 160.17 40.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 52' ' ' SER . 21.5 t -142.29 147.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.7 m -100.74 123.81 45.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.078 0.466 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.88 115.19 32.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.615 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HB3' HD22 ' A' ' 15' ' ' LEU . 37.1 Cg_endo . . . . . 0 C--N 1.347 0.475 0 C-N-CA 122.31 2.007 . . . . 0.0 112.422 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.1 117.93 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 9.5 t -114.83 148.55 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 t -96.82 115.78 28.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.716 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -60.33 162.25 11.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 -28.15 17.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.557 2.171 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.825 ' HB2' HD12 ' A' ' 15' ' ' LEU . 4.4 m120 -82.17 -17.25 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 69.52 86.04 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.794 0.33 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.59 25.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? 63.3 137.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.55 -154.77 7.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.824 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -130.15 146.95 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.594 0.235 . . . . 0.0 110.691 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 2.5 t -118.21 121.43 40.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -145.7 169.0 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.353 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.1 m -61.91 -179.26 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.411 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.6 pp -95.23 27.31 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.973 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.2 28.39 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -127.69 -49.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.72 115.85 3.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -32.71 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.036 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.746 HG13 ' HE2' ' A' ' 34' ' ' LYS . 22.7 t -69.33 -43.7 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.19 -36.91 85.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.039 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -35.93 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.372 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.746 ' HE2' HG13 ' A' ' 31' ' ' VAL . 2.3 pttm -70.0 -33.72 72.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.989 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.2 mt -71.22 -41.25 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.519 HD12 ' NH2' ' A' ' 41' ' ' ARG . 13.0 mm -73.72 -34.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.957 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -82.3 -19.36 39.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.992 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 172.25 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.152 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 27.3 Cg_endo -62.28 152.02 78.92 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.406 2.071 . . . . 0.0 112.559 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.519 ' NH2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.578 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -110.81 177.57 4.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.226 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.498 ' H ' HG22 ' A' ' 42' ' ' THR . . . -64.11 -32.36 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.264 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 63.6 mt-30 -59.35 -32.48 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.021 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.26 -36.0 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 8.0 tt0 -70.11 -38.75 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -68.08 -37.66 81.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.992 0.425 . . . . 0.0 110.321 179.532 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.5 -44.95 89.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -72.03 -35.68 69.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 0.0 110.06 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.829 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.42 -36.83 82.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.348 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -73.02 -39.71 65.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.2 m -99.17 39.03 1.32 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -104.13 104.61 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -63.41 79.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.94 143.79 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.32 -14.84 12.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.638 0.256 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.88 -46.77 74.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.88 -53.47 0.75 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.594 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -31.64 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.534 HG22 ' HG3' ' A' ' 62' ' ' LYS . 43.7 m -70.71 111.39 9.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.553 ' HB2' HD23 ' A' ' 26' ' ' LEU . 63.6 Cg_endo -73.48 102.05 1.44 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.492 2.128 . . . . 0.0 112.413 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.534 ' HG3' HG22 ' A' ' 60' ' ' THR . 18.5 mtmt -138.06 154.77 49.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -146.93 156.87 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.021 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.451 ' N ' HG12 ' A' ' 63' ' ' VAL . 61.9 m -106.84 123.81 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.85 114.95 33.71 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.744 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.432 ' HB3' HD22 ' A' ' 15' ' ' LEU . 51.6 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 122.342 2.028 . . . . 0.0 112.301 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.74 120.24 31.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -115.59 167.0 11.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 14' ' ' THR . 7.3 t -103.49 115.97 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.023 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.64 162.44 8.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.66 -27.95 21.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.238 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -82.77 -16.92 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 t30 70.09 83.26 0.15 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.78 25.78 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.12 143.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.01 -156.08 10.76 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.642 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -129.24 146.46 51.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.696 0.284 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.67 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 111.081 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.33 169.05 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.644 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.6 m -60.96 -179.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 26' ' ' LEU . 1.8 pp -97.6 29.4 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.23 31.64 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -141.65 -45.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 95.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -30.64 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.9 m -66.21 -38.81 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.122 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.889 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.95 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -38.64 89.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.8 pttt -66.93 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.9 mt -67.74 -41.38 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -65.22 -31.71 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t -99.64 0.01 41.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.72 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.94 -43.85 6.24 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.804 0.335 . . . . 0.0 111.216 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.67 84.9 9.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.53 -179.55 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.631 2.221 . . . . 0.0 112.222 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.551 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 0.7 OUTLIER 172.45 143.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.801 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 43' ' ' ALA . 74.8 m -86.91 -105.35 0.07 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.977 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 42' ' ' THR . . . -59.82 -32.79 70.98 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.462 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 31.3 mt-30 -64.17 -38.28 90.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' ARG . 32.6 t70 -69.4 -35.99 76.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.054 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.3 mm-40 -64.28 -43.64 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -68.16 -37.68 81.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.127 0.489 . . . . 0.0 110.392 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -41.57 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.264 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.2 pp -71.91 -33.36 68.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.477 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.841 ' N ' HD12 ' A' ' 49' ' ' LEU . 28.2 ttt180 -67.31 -34.99 78.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.97 -34.23 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.12 39.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.13 129.28 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.2 m -64.99 81.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.35 167.05 9.55 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -126.27 88.6 2.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -52.72 6.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.92 -73.35 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.569 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.88 -21.87 58.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.647 0.26 . . . . 0.0 111.108 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.78 85.75 2.01 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.309 . . . . 0.0 111.03 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 59.4 Cg_endo -72.28 127.85 13.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.488 2.125 . . . . 0.0 112.197 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.99 159.36 42.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.6 t -146.86 156.73 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.437 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.6 m -104.93 124.01 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -121.09 114.88 31.93 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.758 ' HB3' HD22 ' A' ' 15' ' ' LEU . 74.7 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.428 2.086 . . . . 0.0 112.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.91 121.62 29.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.04 167.12 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 14' ' ' THR . 10.6 t -105.04 115.65 30.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -63.7 161.76 33.76 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.696 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.81 -25.36 15.31 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.589 2.193 . . . . 0.0 112.231 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.557 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -84.61 -14.18 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 63.85 83.63 0.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -155.99 26.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.08 138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.014 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.48 -159.43 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.574 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 m -124.83 146.39 49.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.75 121.81 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.411 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 169.02 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.568 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.0 t -56.06 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -94.68 37.89 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.032 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -150.81 29.62 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -125.61 -48.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 125.62 27.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.89 -30.93 68.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.728 HG13 ' HE3' ' A' ' 34' ' ' LYS . 32.0 t -67.21 -42.56 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.92 85.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -68.31 -35.73 78.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.402 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.728 ' HE3' HG13 ' A' ' 31' ' ' VAL . 7.2 pttt -70.07 -32.75 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.096 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.454 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.9 mt -71.05 -36.93 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 111.003 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -75.08 -27.1 19.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.04 -0.18 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.514 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -80.73 0.15 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.44 -54.32 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.084 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 74.4 Cg_exo -49.93 107.1 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.51 2.14 . . . . 0.0 112.493 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -152.58 68.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 p -109.59 -176.33 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -32.99 61.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -64.39 -31.48 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -35.97 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.733 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.605 ' HA ' HD23 ' A' ' 49' ' ' LEU . 4.1 tt0 -65.93 -42.43 90.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 17.8 ptpt -68.01 -37.78 81.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.313 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -41.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.076 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -70.15 -38.37 75.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 110.492 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -67.32 -37.03 82.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.651 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.1 -28.01 62.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -96.76 38.12 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -123.64 129.43 51.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.3 p -86.09 78.11 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' PHE . . . 103.46 179.9 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 36.8 m-85 -161.92 88.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.779 0.323 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.678 ' HB3' HG22 ' A' ' 60' ' ' THR . 1.9 t0 -62.48 -29.7 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.658 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.19 -41.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -19.0 8.65 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.678 HG22 ' HB3' ' A' ' 57' ' ' ASP . 14.6 t -94.62 107.65 31.74 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.737 0.303 . . . . 0.0 111.398 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.69 128.0 5.84 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.591 2.194 . . . . 0.0 112.15 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -138.04 155.57 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.253 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -135.89 159.66 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.488 ' N ' HG12 ' A' ' 63' ' ' VAL . 12.9 t -106.21 123.79 48.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.95 132.82 22.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HB3' HD22 ' A' ' 15' ' ' LEU . 58.6 Cg_endo . . . . . 0 C--N 1.345 0.35 0 C-N-CA 122.446 2.097 . . . . 0.0 112.427 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.777 0.322 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.92 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 p -116.74 167.06 11.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -100.75 115.98 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.459 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -61.6 163.6 11.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.765 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -51.19 -26.77 20.65 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.454 2.102 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.65 -13.1 54.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.71 82.64 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -156.5 27.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.007 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.88 142.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.75 -152.26 7.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.701 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.13 146.73 51.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -118.67 121.9 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.118 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -138.95 167.09 22.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.799 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -58.22 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 26' ' ' LEU . 1.3 pp -96.24 31.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 mt -146.78 41.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -151.43 -42.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.47 116.84 2.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -36.64 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.4 m -67.93 -39.58 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.873 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.02 -36.88 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -66.79 -37.32 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -68.89 -32.46 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 0.0 111.024 -179.737 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.3 mt -69.22 -38.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -69.87 -32.23 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.014 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -96.15 0.17 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.362 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -83.34 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.705 0.288 . . . . 0.0 110.829 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 174.78 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.093 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 35.4 Cg_endo -65.1 146.25 86.64 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.467 2.112 . . . . 0.0 112.53 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.9 98.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -174.03 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.081 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.95 -32.75 61.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.182 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.76 -32.33 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.0 -35.92 74.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.685 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -41.28 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -39.41 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -35.88 81.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.725 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 tp -70.24 -34.7 73.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -37.47 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.703 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -98.25 34.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.2 138.24 52.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -57.23 95.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.77 179.78 4.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.22 101.68 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.55 166.62 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -130.43 44.37 1.22 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -106.04 87.29 2.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HB2' HD23 ' A' ' 26' ' ' LEU . 52.9 Cg_endo -69.48 129.42 17.86 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.468 2.112 . . . . 0.0 112.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -136.75 156.71 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.0 150.39 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.94 123.85 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.008 0.432 . . . . 0.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -126.6 122.06 23.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.679 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.346 2.03 . . . . 0.0 112.36 -179.728 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.63 124.82 28.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -118.79 152.91 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 14' ' ' THR . 10.0 t -99.47 115.89 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -57.99 160.71 8.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.788 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.69 -25.66 15.54 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.654 2.236 . . . . 0.0 112.11 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -85.41 -16.39 39.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.719 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.61 86.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.14 24.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? 62.75 139.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.37 -156.52 10.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.704 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 m -126.18 146.67 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.644 0.259 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -118.32 121.77 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -179.72 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -145.03 169.31 18.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.507 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 176.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.662 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.42 31.98 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 mt -142.97 31.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -139.32 -47.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' SG ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.62 125.83 25.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -35.82 77.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.1 m -64.48 -42.19 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.434 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -65.42 -37.35 86.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.0 p -69.39 -36.91 77.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.416 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 31' ' ' VAL . 16.4 pttm -70.09 -32.6 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.024 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' CE ' ' A' ' 38' ' ' LYS . 28.0 mm -69.45 -35.93 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.78 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 32' ' ' ALA . 16.4 mm -71.57 -30.68 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.6 p -96.07 -12.96 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.358 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' CE ' HD13 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -54.0 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.08 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -176.27 -53.79 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.084 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 32.2 Cg_exo -58.54 131.11 40.64 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.202 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -162.53 65.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -126.63 -176.83 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.97 62.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 11.8 mt-30 -63.67 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -70.23 -36.09 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -69.22 -40.37 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 2.1 ptpt -68.0 -37.62 81.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.39 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.8 -44.62 85.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.0 pp -72.06 -35.98 69.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.116 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.648 ' N ' HD12 ' A' ' 49' ' ' LEU . 19.6 mtt180 -67.31 -35.29 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.572 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.52 -29.71 66.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.976 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -96.89 36.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.07 126.99 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.43 72.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.75 177.21 19.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -166.89 133.36 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 19.13 3.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 53.15 26.92 29.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.748 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -159.79 -45.19 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 111.055 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 60' ' ' THR . 9.2 t -84.62 111.76 37.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.51 117.29 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.712 2.275 . . . . 0.0 112.477 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -138.0 161.18 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 64' ' ' CYS . 20.9 t -144.62 159.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.491 ' N ' HG12 ' A' ' 63' ' ' VAL . 4.5 t -103.51 124.39 48.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 114.82 31.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.784 ' HB3' HD22 ' A' ' 15' ' ' LEU . 73.9 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.441 2.094 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.761 0.315 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.65 117.75 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -123.24 159.62 28.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -94.41 115.84 28.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -61.04 161.73 15.21 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.787 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.0 Cg_endo -50.41 -25.85 14.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.601 2.2 . . . . 0.0 112.07 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.5 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -82.12 -19.01 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 69.33 80.84 0.18 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -152.88 23.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt 62.44 132.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.77 -160.33 10.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.719 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -129.22 133.58 47.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 23.7 p -118.62 130.4 55.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.125 0.488 . . . . 0.0 111.516 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -145.05 169.5 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.143 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 t -49.95 176.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.91 30.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -144.82 31.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -134.4 -54.51 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.4 136.68 57.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.23 -31.52 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.731 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.676 HG13 ' HE3' ' A' ' 34' ' ' LYS . 31.9 t -70.23 -40.46 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.38 -37.03 85.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -68.09 -36.44 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HE3' HG13 ' A' ' 31' ' ' VAL . 3.0 pttt -69.95 -33.3 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.11 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 32' ' ' ALA . 17.2 mt -70.72 -36.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -74.11 -29.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.0 t -88.45 -30.96 19.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -66.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -177.18 80.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.77 83.28 2.25 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.444 2.096 . . . . 0.0 112.413 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -173.22 70.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.03 135.06 19.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.432 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.411 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . . . -54.84 -32.02 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.06 -34.35 64.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -35.96 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HA ' HD21 ' A' ' 49' ' ' LEU . 9.4 pt-20 -71.07 -40.94 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.3 ptpm? -68.21 -37.6 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.447 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.77 -43.22 80.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.5 pp -72.21 -39.47 68.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.931 0.396 . . . . 0.0 110.005 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.815 ' N ' HD12 ' A' ' 49' ' ' LEU . 3.2 mtt85 -67.47 -38.2 84.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.694 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -73.21 -33.18 65.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' CYS . 1.4 m -97.71 37.92 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.131 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.94 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.3 p -79.71 60.66 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.39 143.85 5.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -112.05 106.43 15.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.17 136.96 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.44 45.51 2.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -158.11 -45.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -127.07 101.74 25.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.54 149.87 79.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.097 . . . . 0.0 112.116 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -135.82 155.26 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.46 154.28 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 3.7 t -104.27 123.97 48.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.18 114.57 40.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.112 . . . . 0.0 112.235 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.771 0.32 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 123.15 26.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.74 167.17 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.44 115.88 30.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -61.14 163.23 10.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.69 -26.92 18.38 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -83.83 -16.7 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.55 85.87 0.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -154.02 24.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.75 133.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.22 -155.99 8.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.94 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 m -130.85 147.5 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -117.49 122.6 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.12 0.486 . . . . 0.0 111.018 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -129.28 164.76 22.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -173.41 0.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.088 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.828 HD23 ' HB2' ' A' ' 61' ' ' PRO . 2.4 pp -82.52 4.6 23.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.352 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.08 23.39 3.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.41 -39.62 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.03 118.28 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -39.31 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.4 m -63.1 -38.72 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.996 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.408 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -62.92 -37.06 85.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.832 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -66.84 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.25 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -65.14 -31.9 73.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 -179.777 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.0 mm -70.21 -41.6 78.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 110.964 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 32' ' ' ALA . 27.5 mm -62.3 -33.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.917 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p -83.9 -26.39 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -73.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.93 93.59 1.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.78 -157.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.697 2.264 . . . . 0.0 112.511 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER 176.12 159.04 0.28 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -75.32 -124.15 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.71 -32.66 59.87 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-O 120.746 0.308 . . . . 0.0 111.562 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.926 0.393 . . . . 0.0 110.997 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 41' ' ' ARG . 17.5 t70 -70.14 -35.94 74.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -66.71 -40.74 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 8.4 ptmt -66.54 -37.41 84.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.302 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -39.91 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 45' ' ' ASP . 0.8 OUTLIER -65.97 -44.05 86.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.411 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -39.31 93.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -72.05 -31.15 65.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -106.81 42.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.34 152.82 35.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.0 p -92.29 23.79 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.498 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.14 -137.86 32.32 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.815 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 70.13 -64.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.02 143.97 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.92 -38.8 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -84.33 -60.42 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 m -60.5 113.27 7.11 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.828 ' HB2' HD23 ' A' ' 26' ' ' LEU . 49.4 Cg_exo -55.38 131.95 49.32 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.44 2.093 . . . . 0.0 112.32 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -137.51 146.23 43.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.697 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -135.33 152.6 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.942 0.401 . . . . 0.0 111.307 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.1 123.92 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.318 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.3 m -116.32 114.47 40.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.483 2.122 . . . . 0.0 112.474 -179.763 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.27 121.09 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 p -119.09 166.92 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -103.78 115.8 31.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -59.24 161.97 8.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.755 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.44 -24.98 17.62 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.622 2.215 . . . . 0.0 112.21 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -10.65 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.58 83.84 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.923 0.392 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.485 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -154.45 25.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.006 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 141.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.52 -165.85 30.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.67 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -119.25 146.58 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 110.706 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.53 121.92 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 169.02 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -60.18 177.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.787 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -95.57 35.87 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -132.42 35.49 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -158.23 -42.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.41 136.03 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.86 -43.04 94.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.513 HG13 ' CE ' ' A' ' 34' ' ' LYS . 10.1 t -68.34 -38.8 79.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.828 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.19 -36.82 85.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.761 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -41.22 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.353 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' CE ' HG13 ' A' ' 31' ' ' VAL . 5.7 pttt -64.7 -32.36 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 32' ' ' ALA . 11.3 mt -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.805 HD13 ' HB3' ' A' ' 40' ' ' PRO . 26.3 mm -66.09 -34.91 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -78.8 -21.56 47.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -89.13 -58.87 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.917 0.389 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 84.95 0.1 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.805 ' HB3' HD13 ' A' ' 36' ' ' ILE . 93.5 Cg_endo -82.05 66.59 8.33 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.413 2.075 . . . . 0.0 112.421 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.17 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -162.85 150.66 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.3 -33.01 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -71.56 -31.44 66.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -36.03 74.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.452 ' HA ' HD21 ' A' ' 49' ' ' LEU . 2.2 tm-20 -67.04 -41.44 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 1.4 ptmt -68.12 -37.23 80.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.01 0.433 . . . . 0.0 110.695 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -70.05 -41.98 73.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.86 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.5 pp -72.28 -40.1 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.575 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.86 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.99 -34.11 75.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.883 0.373 . . . . 0.0 110.581 179.447 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -103.37 40.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -120.26 142.79 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 p -94.68 30.14 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.65 -140.76 45.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.699 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 63.11 168.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.83 -49.69 2.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -34.81 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.625 HG22 ' HD2' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -101.28 141.83 23.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.625 ' HD2' HG22 ' A' ' 60' ' ' THR . 65.8 Cg_endo -73.65 140.2 29.16 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.158 . . . . 0.0 112.39 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -138.0 154.94 49.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 64' ' ' CYS . 22.1 t -144.0 158.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.485 ' N ' HG12 ' A' ' 63' ' ' VAL . 2.5 m -100.85 131.25 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.68 115.75 19.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.465 2.11 . . . . 0.0 112.297 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.864 0.364 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.7 118.8 28.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.1 167.16 10.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 t -112.12 115.66 29.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -69.34 160.76 77.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.24 -26.97 8.9 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.488 2.126 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' CB ' HD12 ' A' ' 15' ' ' LEU . 9.0 t-20 -81.53 -17.84 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 m120 64.08 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.06 23.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.079 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 62.58 132.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.47 -174.95 33.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.587 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -118.48 146.31 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.7 p -118.79 126.26 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 111.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 169.23 18.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.627 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -55.34 -175.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 26' ' ' LEU . 3.6 pp -97.41 31.61 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.7 mt -146.41 28.7 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.46 -51.29 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 119.59 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.72 -38.23 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 32' ' ' ALA . 28.3 m -63.72 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -60.24 -36.82 78.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -66.08 -38.69 88.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.479 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -68.42 -31.99 71.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.472 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.9 mm -69.6 -37.04 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 32' ' ' ALA . 15.4 mm -71.82 -30.88 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.6 -19.79 23.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -65.94 0.48 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 179.29 -55.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.987 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 71.7 Cg_exo -48.93 131.82 25.93 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.502 2.135 . . . . 0.0 112.426 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -170.4 88.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -153.64 -170.75 3.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' H ' HG22 ' A' ' 42' ' ' THR . . . -58.98 -32.96 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -59.68 -31.78 69.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.38 -35.78 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 17.4 mt-10 -68.71 -38.73 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.345 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.442 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.7 ptpt -68.16 -37.6 81.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.924 0.392 . . . . 0.0 110.321 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -44.72 88.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -71.48 -32.95 68.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.077 0.465 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.734 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.9 ttp180 -67.34 -34.69 77.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.629 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -33.63 69.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -112.74 46.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.682 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -108.54 146.87 32.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 70.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.064 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.34 -166.82 12.88 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.696 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -111.1 -20.38 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 111.252 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.55 127.0 16.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.86 0.362 . . . . 0.0 111.184 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.89 -34.94 7.41 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -31.21 67.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.89 98.53 7.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HB2' HD23 ' A' ' 26' ' ' LEU . 36.6 Cg_endo -65.64 107.49 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.387 2.058 . . . . 0.0 112.285 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -135.84 147.47 48.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.977 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.4 t -137.67 156.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.439 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.6 m -101.0 123.97 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.62 114.8 39.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HB3' HD22 ' A' ' 15' ' ' LEU . 42.1 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.456 2.104 . . . . 0.0 112.315 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.98 123.96 29.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.1 p -116.48 167.02 11.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 14' ' ' THR . 7.2 t -101.45 116.02 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.51 163.24 15.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 77.8 Cg_exo -50.56 -26.62 17.14 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.505 2.137 . . . . 0.0 112.299 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.24 -17.92 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.52 83.75 0.16 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.0 29.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.783 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.95 142.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.61 -149.75 6.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -118.41 121.68 40.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -145.28 165.56 28.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.661 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 p -61.79 -178.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.774 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.705 HD22 ' HB2' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -94.99 33.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 26' ' ' LEU . 11.1 mt -141.96 28.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -130.64 -53.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.26 112.77 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.714 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -36.96 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 11.7 p -68.69 -40.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.34 -37.02 85.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -37.2 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.482 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -69.77 -33.03 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.693 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.4 mt -70.63 -35.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 32' ' ' ALA . 14.4 mm -74.45 -32.79 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.02 0.12 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.325 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -79.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 111.036 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -179.33 -61.59 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 13.7 Cg_endo -56.87 140.48 91.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.551 2.167 . . . . 0.0 112.403 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.45 90.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.43 -174.65 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.66 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.351 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 6.0 mt-30 -59.76 -29.68 68.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.84 -35.97 72.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.33 -44.02 76.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.46 -37.59 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.553 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -67.27 -35.87 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.5 tp -72.2 -33.02 67.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.258 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -66.93 -35.35 79.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.91 -34.95 69.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.47 38.09 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -115.67 105.22 12.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -54.91 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.146 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.79 -177.82 38.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.636 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -137.22 111.06 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.62 -72.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.66 -48.2 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.86 -38.64 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -95.69 102.46 10.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.705 ' HB2' HD22 ' A' ' 26' ' ' LEU . 43.0 Cg_endo -67.94 135.88 36.5 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.389 2.059 . . . . 0.0 112.285 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 157.24 46.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.75 152.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.05 124.28 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.41 116.94 23.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--N 1.347 0.468 0 C-N-CA 122.394 2.062 . . . . 0.0 112.146 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.841 0.353 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.76 122.4 33.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 31.7 p -115.64 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.04 115.81 30.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -59.85 162.07 10.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.47 -25.02 17.87 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.629 2.219 . . . . 0.0 112.098 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.96 -11.51 52.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 63.68 81.12 0.21 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.876 0.37 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.497 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.6 m-20 -149.61 24.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.6 141.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.07 -171.87 36.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.563 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 m -115.13 146.68 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.689 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 1.5 t -118.63 121.85 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.017 0.437 . . . . 0.0 111.301 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -145.08 168.66 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.537 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m -58.03 179.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 26' ' ' LEU . 1.4 pp -93.61 29.66 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.245 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.9 29.08 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -127.49 -49.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 133.02 55.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -43.14 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 32' ' ' ALA . 9.0 p -67.49 -42.06 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.617 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 31' ' ' VAL . . . -65.22 -36.74 85.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.688 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 m -66.83 -36.27 81.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.546 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -70.02 -32.77 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.107 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.48 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.1 mm -70.06 -36.06 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 32' ' ' ALA . 16.3 mm -73.54 -29.96 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -102.65 -0.0 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.67 -82.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.74 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.983 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 37.9 Cg_endo -66.17 143.38 71.06 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.375 2.05 . . . . 0.0 112.509 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.71 75.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.693 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -93.82 179.1 5.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.999 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' H ' HG22 ' A' ' 42' ' ' THR . . . -65.05 -32.63 74.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.21 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.444 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -35.93 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' HD21 ' A' ' 49' ' ' LEU . 22.9 mm-40 -68.7 -38.59 80.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.307 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.99 -37.75 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.887 0.375 . . . . 0.0 110.459 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -45.32 86.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.9 pp -72.13 -35.52 69.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.018 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.8 mtm-85 -67.41 -36.5 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.5 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.06 -33.97 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 m -97.56 37.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.78 130.94 56.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.73 50.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.44 144.24 10.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.581 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.99 31.45 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.63 156.46 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -26.86 6.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.568 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -83.6 -38.88 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.014 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.01 90.04 3.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.31 146.43 56.76 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.484 2.123 . . . . 0.0 112.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 163.2 32.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -149.35 147.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.95 124.94 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.37 115.96 25.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.778 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 122.382 2.055 . . . . 0.0 112.256 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.866 0.365 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.33 126.62 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 1.4 t -120.56 147.7 44.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 14' ' ' THR . 11.0 t -98.87 115.7 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.12 161.14 4.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -50.98 -27.74 22.1 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.691 2.261 . . . . 0.0 112.2 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.98 -14.5 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.58 84.77 0.14 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.912 0.387 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.63 23.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.42 140.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.34 -164.36 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.554 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.49 146.39 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -118.66 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.432 . . . . 0.0 111.274 -179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 169.07 18.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.437 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 175.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.805 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 26' ' ' LEU . 2.1 pp -94.3 33.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -140.44 36.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.442 ' HG3' HD12 ' A' ' 27' ' ' LEU . 17.7 mt-30 -151.81 -44.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.36 118.12 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -40.01 75.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 16.2 m -63.85 -38.78 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.02 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.12 -36.95 85.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -65.09 -43.93 90.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.171 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -62.73 -31.76 72.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.972 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 32' ' ' ALA . 15.7 mt -71.18 -36.35 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 32' ' ' ALA . 28.9 mm -67.1 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -82.55 -24.64 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.191 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -91.01 -50.53 5.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.4 78.7 67.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.53 86.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 61.69 112.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.13 165.7 26.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 4.0 mt-30 -73.76 -31.81 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.546 ' OD1' HG21 ' A' ' 35' ' ' ILE . 3.3 t70 -70.74 -35.89 72.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.1 tp10 -68.05 -43.87 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.206 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.29 -37.61 80.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.448 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -41.69 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -72.0 -34.8 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.392 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.83 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -67.17 -38.7 85.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.548 179.44 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.21 -33.27 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.41 45.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.035 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -116.98 120.74 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.7 m -67.41 76.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.61 144.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.5 -33.51 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.51 -68.99 0.16 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.42 -28.2 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -134.46 -43.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 m -97.94 100.28 8.37 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.15 149.66 64.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.509 2.139 . . . . 0.0 112.257 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 157.02 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.4 t -140.91 155.73 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.422 ' N ' HG12 ' A' ' 63' ' ' VAL . 4.8 t -101.02 123.9 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.3 m -118.05 118.66 34.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.535 ' HB3' HD22 ' A' ' 15' ' ' LEU . 56.9 Cg_endo . . . . . 0 C--N 1.346 0.415 0 C-N-CA 122.404 2.069 . . . . 0.0 112.243 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.792 0.329 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.11 119.47 37.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -123.37 166.91 14.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -104.07 115.93 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -57.84 161.29 6.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.757 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.44 -25.37 18.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.65 2.233 . . . . 0.0 112.144 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -87.22 -11.35 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.59 84.15 0.16 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.553 ' HB2' HD11 ' A' ' 15' ' ' LEU . 44.4 m-20 -154.3 25.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.12 137.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.39 -155.45 8.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.598 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -131.23 146.77 52.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.641 0.258 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.0 t -118.5 122.84 43.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 111.317 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.01 167.58 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -57.24 -179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 61' ' ' PRO . 4.1 pp -94.44 21.71 6.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.206 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.43 27.15 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 110.715 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -45.82 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 127.43 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -39.33 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 10.6 p -68.24 -39.45 81.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.619 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.28 -36.88 85.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.94 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.5 81.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -70.05 -32.71 70.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 111.154 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 32' ' ' ALA . 15.6 mt -71.2 -36.9 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 32' ' ' ALA . 15.3 mm -74.38 -26.21 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 0.11 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -78.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.27 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.66 -60.46 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 14.8 Cg_endo -56.95 132.33 50.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.495 2.13 . . . . 0.0 112.33 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.43 76.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -173.2 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.21 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -65.78 -31.5 72.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.06 -35.95 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.639 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -43.33 90.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -68.01 -37.98 82.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -68.67 -35.86 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.66 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.429 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -67.12 -37.52 84.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.675 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.53 -35.98 81.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -100.75 40.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.688 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.43 132.15 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.61 63.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.93 179.46 20.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -148.13 126.11 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 -39.7 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.0 -60.62 0.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -49.17 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.1 m -104.29 89.06 2.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.656 ' HB2' HD23 ' A' ' 26' ' ' LEU . 41.6 Cg_endo -67.44 140.31 52.13 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.473 2.116 . . . . 0.0 112.25 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.31 158.51 39.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.044 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.6 t -142.08 157.77 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.449 ' N ' HG12 ' A' ' 63' ' ' VAL . 3.2 m -102.37 123.85 46.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.5 115.02 27.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.39 2.06 . . . . 0.0 112.416 -179.746 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.735 0.302 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.22 127.84 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t -126.0 154.47 42.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 t -97.12 115.67 27.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -59.33 161.71 9.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.1 Cg_endo -50.43 -25.81 14.88 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.609 2.206 . . . . 0.0 112.287 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -83.85 -17.67 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t30 69.72 86.05 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -159.02 28.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm 63.19 142.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.17 -149.38 6.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.829 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 146.77 52.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.732 0.301 . . . . 0.0 110.832 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.73 41.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.949 0.404 . . . . 0.0 110.757 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -145.36 169.03 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.622 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -64.08 -176.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.621 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.682 HD23 ' HB2' ' A' ' 61' ' ' PRO . 4.5 pp -94.06 26.58 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.69 32.72 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -153.96 -44.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.34 124.93 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.45 -36.01 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.823 HG13 ' HE2' ' A' ' 34' ' ' LYS . 30.2 t -68.28 -38.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.827 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.96 -36.89 85.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.73 -38.5 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.418 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.823 ' HE2' HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -67.81 -31.95 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.986 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 32' ' ' ALA . 9.6 mt -70.93 -39.71 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.383 . . . . 0.0 110.963 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 32' ' ' ALA . 18.9 mm -69.5 -30.78 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.8 t -81.83 -26.56 34.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -79.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.03 72.57 1.04 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.2 94.13 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.775 2.317 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 42' ' ' THR . 4.1 ttm180 -178.42 68.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -170.05 151.21 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.05 -32.9 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -59.93 -31.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -35.84 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.83 -43.3 79.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -67.9 -37.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -35.91 82.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.714 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 2.7 tp -71.97 -39.18 69.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.329 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -67.12 -35.9 80.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -32.18 73.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.12 38.26 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -100.61 122.39 43.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 62' ' ' LYS . 38.7 t -80.0 71.46 6.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.64 157.52 52.67 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -177.18 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.37 -26.92 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.78 136.97 7.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.323 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.43 -58.57 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -46.59 131.83 8.17 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.682 ' HB2' HD23 ' A' ' 26' ' ' LEU . 74.0 Cg_endo -74.86 127.35 10.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.574 2.183 . . . . 0.0 112.672 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -138.16 162.97 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 179.751 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -148.04 143.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 111.528 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.1 t -100.91 123.98 45.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.8 129.21 25.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.835 ' HB3' HD22 ' A' ' 15' ' ' LEU . 74.3 Cg_endo . . . . . 0 C--N 1.347 0.469 0 C-N-CA 122.473 2.115 . . . . 0.0 112.317 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.852 0.358 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.76 121.8 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 52.7 t -117.82 154.06 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 t -105.7 115.87 30.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -60.66 160.64 18.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.739 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -50.6 -25.5 14.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HB3' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.59 -13.95 44.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 66.74 85.38 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.829 0.347 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.2 m-20 -149.79 22.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.77 133.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -158.28 8.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.684 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 m -128.31 146.64 50.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.524 0.202 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -118.48 124.27 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.473 . . . . 0.0 111.395 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -145.27 168.46 20.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.3 m -60.05 174.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 61' ' ' PRO . 1.0 OUTLIER -93.98 29.5 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.085 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.27 26.1 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -131.78 -52.15 0.99 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 115.6 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.95 -31.62 63.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.1 m -69.72 -38.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.872 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.2 t -66.93 -37.34 84.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.478 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.6 pttp -68.73 -32.44 72.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 111.021 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.5 mt -69.05 -38.84 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 32' ' ' ALA . 18.7 mm -66.94 -33.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -75.75 -27.5 58.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.982 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.37 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.91 88.11 3.26 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.97 103.52 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.517 2.144 . . . . 0.0 112.461 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 63.29 129.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.333 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.81 154.22 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 46' ' ' GLU . . . -55.01 -38.01 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 7.0 mt-30 -75.32 -36.88 61.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -70.18 -37.35 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.293 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -71.06 -40.57 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.694 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.95 -37.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.677 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -70.12 -41.15 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.396 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.1 pp -70.26 -32.97 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.721 0.296 . . . . 0.0 110.49 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.864 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.8 ttt180 -64.06 -37.7 88.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.407 . . . . 0.0 110.5 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.3 -31.33 63.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.924 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -114.2 45.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -127.71 141.82 51.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 111.322 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.4 m -93.2 25.38 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.08 143.23 18.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.581 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -108.33 -28.68 9.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.724 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.63 166.13 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.07 14.89 63.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.98 -18.5 11.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.645 0.26 . . . . 0.0 111.204 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.1 m -102.84 96.4 7.69 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.979 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.499 ' HB2' HD21 ' A' ' 26' ' ' LEU . 75.4 Cg_endo -76.89 112.84 3.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.526 2.151 . . . . 0.0 112.748 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -138.15 163.54 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.611 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -151.15 147.34 15.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.405 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 68.5 m -100.81 123.88 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.909 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.47 114.88 34.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HB3' HD22 ' A' ' 15' ' ' LEU . 43.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.482 2.121 . . . . 0.0 112.285 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -109.6 118.98 38.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.51 166.36 13.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 14' ' ' THR . 11.3 t -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -58.97 161.74 8.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.34 -25.11 17.39 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.617 2.211 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -86.56 -11.36 51.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 64.31 83.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.502 ' HB2' HD11 ' A' ' 15' ' ' LEU . 64.1 m-20 -154.08 24.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm 62.58 139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.017 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.95 -154.37 8.17 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.603 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 2.2 m -130.18 146.58 51.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.643 0.259 . . . . 0.0 110.777 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.51 123.06 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.072 0.463 . . . . 0.0 111.243 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -144.15 169.09 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.631 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.3 m -59.68 178.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.66 29.73 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -139.11 34.86 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -142.18 -46.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.492 ' SG ' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.02 114.86 7.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -30.95 71.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 110.536 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.492 HG12 ' SG ' ' A' ' 29' ' ' CYS . 11.0 p -63.14 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.912 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.933 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.37 -37.01 85.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -66.12 -42.23 89.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -64.0 -31.7 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.959 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 32' ' ' ALA . 13.3 mt -68.51 -41.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.978 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 32' ' ' ALA . 21.6 mm -62.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -73.61 -29.69 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -44.11 91.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -140.79 72.46 29.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.76 118.21 4.85 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 42' ' ' THR . 4.5 mtp85 59.68 107.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -161.33 138.01 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.6 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.22 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.437 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 2.1 tt0 -72.62 -30.33 64.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.26 -35.81 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.65 -43.9 79.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -68.35 -37.15 80.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.71 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -66.89 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.2 tp -66.42 -40.65 89.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.12 -40.22 86.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -72.94 -31.01 64.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -97.47 38.24 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.71 121.43 25.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.7 p -79.77 62.32 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.41 -175.49 21.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -143.91 100.69 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.386 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.28 169.79 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.9 -24.43 4.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.736 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -115.42 -37.62 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 111.018 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.7 m -109.84 91.31 10.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 150.48 67.94 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.525 2.15 . . . . 0.0 112.144 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -138.03 160.37 39.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.059 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.8 t -145.07 159.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.949 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.5 m -101.65 123.83 46.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 111.083 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.09 114.91 23.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.534 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.555 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.2 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.389 2.059 . . . . 0.0 112.255 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 22' ' ' THR . 1.2 mt-30 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.817 0.341 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.49 117.93 33.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 p -121.5 167.01 13.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.46 115.88 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -58.47 160.64 9.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.787 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.67 -25.54 15.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.623 2.216 . . . . 0.0 112.062 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' CB ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -84.72 -17.13 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.053 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 69.09 86.02 0.13 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -154.94 25.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 62.88 137.94 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 110.984 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.23 -160.97 14.24 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.619 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' GLN . 16.7 m -122.91 146.7 47.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.54 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.23 122.05 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 111.214 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 169.24 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.462 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -56.16 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.8 pp -96.43 30.41 2.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD12 ' HG2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -146.76 29.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' HG2' HD12 ' A' ' 27' ' ' LEU . 3.8 mm-40 -130.29 -45.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 117.07 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -40.77 83.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.702 HG23 ' HE2' ' A' ' 34' ' ' LYS . 12.7 p -66.05 -38.98 83.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.02 -36.98 86.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.474 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.702 ' HE2' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.006 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 32' ' ' ALA . 14.4 mt -70.99 -36.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 32' ' ' ALA . 21.0 mm -73.87 -33.07 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 t -98.52 -4.63 33.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -76.59 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 16.2 mmtm -159.41 -66.04 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 62.7 Cg_endo -73.31 156.82 50.52 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.375 2.05 . . . . 0.0 112.331 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 179.64 77.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.789 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -121.24 -169.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -32.6 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.361 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -59.63 -31.55 69.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.925 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -36.06 73.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -69.0 -38.24 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.349 -179.491 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 4.3 ptmm? -68.11 -37.56 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.294 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -62.85 -46.46 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.4 pp -71.22 -33.2 69.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.081 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' N ' HD12 ' A' ' 49' ' ' LEU . 11.1 mmm180 -67.42 -35.55 79.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -34.14 66.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 m -97.25 37.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.99 123.67 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.79 74.23 1.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.44 -178.09 20.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -138.21 66.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.38 156.13 19.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.11 -45.97 1.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -80.78 -28.69 36.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.49 86.23 1.67 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.612 ' HB2' HD23 ' A' ' 26' ' ' LEU . 51.6 Cg_endo -69.23 133.34 26.28 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.569 2.179 . . . . 0.0 112.242 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -137.94 158.08 45.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -144.3 156.56 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.443 ' N ' HG12 ' A' ' 63' ' ' VAL . 8.2 t -105.24 123.82 48.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.09 122.78 29.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.682 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.531 ' HB3' HD22 ' A' ' 15' ' ' LEU . 44.9 Cg_endo . . . . . 0 C--N 1.346 0.44 0 C-N-CA 122.356 2.037 . . . . 0.0 112.156 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.87 0.366 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.56 125.18 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.083 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -120.98 154.12 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 14' ' ' THR . 9.7 t -104.5 115.76 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -58.01 161.09 7.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.686 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.12 -25.4 16.84 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 112.143 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.686 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -84.73 -17.26 38.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.04 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 69.72 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.869 0.366 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.31 24.48 0.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 63.34 135.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.91 -162.18 17.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.728 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -123.33 146.87 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.663 0.268 . . . . 0.0 110.785 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.29 121.66 40.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 111.001 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -145.29 168.99 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.564 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -176.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.799 HD12 HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -95.85 33.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.78 28.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -126.99 -47.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 31' ' ' VAL . 1.8 t -67.92 138.92 56.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.07 -41.52 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.432 HG22 ' SG ' ' A' ' 29' ' ' CYS . 27.8 m -66.27 -39.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.751 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.91 84.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.793 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -63.91 -44.7 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -62.64 -32.11 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.588 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 29.6 mm -71.17 -34.95 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.054 0.454 . . . . 0.0 111.0 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.799 HD11 HD12 ' A' ' 26' ' ' LEU . 20.8 mm -75.1 -33.05 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.185 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -105.61 0.28 26.32 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -50.33 -89.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.194 -0.316 . . . . 0.0 111.263 -179.367 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.504 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 177.53 -67.77 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.47 0.176 . . . . 0.0 110.57 179.547 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 36.9 Cg_endo -64.84 117.36 4.46 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.078 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -119.8 99.92 6.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 43' ' ' ALA . 9.6 m -125.05 164.16 20.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 42' ' ' THR . . . -56.3 -32.37 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.226 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 56.4 mt-30 -59.39 -29.72 67.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.939 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -70.4 -36.74 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 1.9 tt0 -69.36 -39.17 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.1 -37.64 81.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.071 0.462 . . . . 0.0 110.064 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.0 t80 -63.1 -45.41 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.416 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.9 pp -69.38 -37.54 77.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.884 0.374 . . . . 0.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.694 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -67.38 -37.68 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.568 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -97.16 28.15 3.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 139.88 39.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 11.7 p -89.38 50.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.88 -150.62 1.93 Allowed Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.892 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.28 148.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.72 115.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.72 -25.84 26.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.605 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.35 -39.28 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.46 110.82 18.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.85 137.65 38.74 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.343 2.029 . . . . 0.0 112.36 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.76 161.24 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.5 t -146.39 155.48 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.246 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.428 ' N ' HG12 ' A' ' 63' ' ' VAL . 5.2 t -100.93 132.08 46.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -131.59 114.88 15.73 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.675 ' HB3' HD22 ' A' ' 15' ' ' LEU . 38.3 Cg_endo . . . . . 0 C--N 1.346 0.439 0 C-N-CA 122.301 2.001 . . . . 0.0 112.358 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.731 0.3 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.62 121.55 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -118.9 160.37 22.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 14' ' ' THR . 11.5 t -106.92 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.9 162.07 10.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.16 -25.18 16.54 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.539 2.159 . . . . 0.0 112.056 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' CB ' HD12 ' A' ' 15' ' ' LEU . 5.9 t30 -83.74 -15.71 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 65.28 85.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -152.44 23.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 62.58 133.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.21 -172.22 29.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.674 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -124.9 130.76 53.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 31.0 p -118.58 128.35 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.158 0.504 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 169.35 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.028 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -51.84 174.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.676 0.274 . . . . 0.0 110.565 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.83 41.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mt -147.22 30.19 0.95 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -133.01 -56.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.311 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.458 ' SG ' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -56.7 133.33 53.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -66.05 -44.76 83.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.711 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.824 HG23 ' HE3' ' A' ' 34' ' ' LYS . 12.6 p -59.2 -38.88 76.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.785 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.47 -36.99 85.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.824 ' HE3' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -60.09 -35.3 74.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.562 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 32' ' ' ALA . 19.5 mt -68.06 -35.45 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 40' ' ' PRO . 36.5 mm -71.23 -25.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.4 p -88.11 -35.78 17.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.735 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -68.6 -63.38 1.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.317 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.12 80.21 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HB3' HD13 ' A' ' 36' ' ' ILE . 91.7 Cg_endo -81.4 -168.64 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 54.06 93.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.232 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -163.04 154.22 17.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -34.37 69.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.07 -34.77 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.98 -35.83 74.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.712 ' HA ' HD23 ' A' ' 49' ' ' LEU . 37.9 mt-10 -66.28 -42.04 88.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 7.2 ptpp? -68.15 -37.76 81.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.12 -38.68 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.245 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.712 HD23 ' HA ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -70.38 -34.68 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -67.07 -37.25 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.752 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.06 -31.1 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -119.57 46.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -102.34 138.74 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -104.06 29.91 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.68 141.72 33.88 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.61 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.77 28.23 2.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 0.0 110.653 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.34 -46.52 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.768 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.54 33.56 1.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.585 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -179.4 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 60' ' ' THR . 8.1 t -56.59 117.85 19.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.96 114.78 4.07 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.45 2.1 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -138.08 156.52 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -141.8 150.17 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.94 127.51 47.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -117.63 116.67 36.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HB3' HD22 ' A' ' 15' ' ' LEU . 61.3 Cg_endo . . . . . 0 C--N 1.346 0.43 0 C-N-CA 122.393 2.062 . . . . 0.0 112.302 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.821 0.343 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.97 118.42 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.61 167.04 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.999 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -106.29 116.01 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -58.92 161.1 9.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.71 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.3 Cg_endo -50.85 -25.4 15.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.691 2.261 . . . . 0.0 112.187 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.829 ' HB2' HD12 ' A' ' 15' ' ' LEU . 5.0 m-20 -85.73 -15.25 42.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.88 85.44 0.14 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.459 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.5 m-20 -155.2 25.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? 63.2 138.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.942 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.53 -168.19 29.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.599 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -119.96 146.67 45.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.582 0.229 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.5 121.84 41.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 111.278 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -143.38 162.64 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.0 m -55.01 -178.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.5 pp -95.89 28.19 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -139.99 29.15 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -133.05 -53.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 125.91 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.746 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.44 -41.24 93.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.041 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 32' ' ' ALA . 28.2 m -65.21 -40.63 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.763 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.07 -36.98 86.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -36.25 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.402 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.515 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.5 pttt -68.65 -36.17 78.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.895 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.3 mt -66.33 -35.56 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.884 0.373 . . . . 0.0 111.023 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -67.51 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.526 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 p -77.34 -37.46 52.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.735 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -75.88 -22.56 56.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.378 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.19 78.72 2.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -85.83 28.12 0.57 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.855 2.37 . . . . 0.0 112.997 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.79 85.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.01 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -162.95 142.64 8.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.824 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.58 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -61.36 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -35.82 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 34.5 mt-10 -69.19 -42.48 75.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -68.11 -37.7 81.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -69.9 -41.33 74.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.845 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.2 pp -72.05 -33.68 68.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.336 . . . . 0.0 110.254 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.845 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 ttm180 -67.2 -38.96 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.25 -31.67 64.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.577 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 2.1 t -109.49 46.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.397 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -129.03 113.26 14.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.93 45.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 165.41 -170.91 40.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.415 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -155.07 130.72 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -162.83 149.1 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.63 28.01 15.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.609 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.89 -45.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -110.21 71.85 0.64 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 48.9 Cg_endo -68.35 168.68 18.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.558 2.172 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -137.94 160.17 40.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 52' ' ' SER . 21.5 t -142.29 147.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.7 m -100.74 123.81 45.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.078 0.466 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.88 115.19 32.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.615 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HB3' HD22 ' A' ' 15' ' ' LEU . 37.1 Cg_endo . . . . . 0 C--N 1.347 0.475 0 C-N-CA 122.31 2.007 . . . . 0.0 112.422 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.1 117.93 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 9.5 t -114.83 148.55 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 t -96.82 115.78 28.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.716 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -60.33 162.25 11.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 -28.15 17.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.557 2.171 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.825 ' HB2' HD12 ' A' ' 15' ' ' LEU . 4.4 m120 -82.17 -17.25 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 69.52 86.04 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.794 0.33 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.59 25.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? 63.3 137.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.55 -154.77 7.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.824 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -130.15 146.95 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.594 0.235 . . . . 0.0 110.691 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 2.5 t -118.21 121.43 40.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -145.7 169.0 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.353 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.1 m -61.91 -179.26 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.411 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.6 pp -95.23 27.31 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.973 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.2 28.39 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -127.69 -49.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.72 115.85 3.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -32.71 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.036 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.746 HG13 ' HE2' ' A' ' 34' ' ' LYS . 22.7 t -69.33 -43.7 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.19 -36.91 85.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.039 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -35.93 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.372 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.746 ' HE2' HG13 ' A' ' 31' ' ' VAL . 2.3 pttm -70.0 -33.72 72.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.989 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.2 mt -71.22 -41.25 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.519 HD12 ' NH2' ' A' ' 41' ' ' ARG . 13.0 mm -73.72 -34.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.957 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -82.3 -19.36 39.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.992 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 172.25 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.152 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 27.3 Cg_endo -62.28 152.02 78.92 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.406 2.071 . . . . 0.0 112.559 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.519 ' NH2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.578 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -110.81 177.57 4.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.226 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.498 ' H ' HG22 ' A' ' 42' ' ' THR . . . -64.11 -32.36 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.264 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 63.6 mt-30 -59.35 -32.48 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.021 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.26 -36.0 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 8.0 tt0 -70.11 -38.75 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -68.08 -37.66 81.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.992 0.425 . . . . 0.0 110.321 179.532 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.5 -44.95 89.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -72.03 -35.68 69.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 0.0 110.06 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.829 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.42 -36.83 82.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.348 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -73.02 -39.71 65.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.2 m -99.17 39.03 1.32 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -104.13 104.61 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -63.41 79.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.94 143.79 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.32 -14.84 12.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.638 0.256 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.88 -46.77 74.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.88 -53.47 0.75 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.594 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -31.64 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.534 HG22 ' HG3' ' A' ' 62' ' ' LYS . 43.7 m -70.71 111.39 9.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.553 ' HB2' HD23 ' A' ' 26' ' ' LEU . 63.6 Cg_endo -73.48 102.05 1.44 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.492 2.128 . . . . 0.0 112.413 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.534 ' HG3' HG22 ' A' ' 60' ' ' THR . 18.5 mtmt -138.06 154.77 49.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -146.93 156.87 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.021 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.451 ' N ' HG12 ' A' ' 63' ' ' VAL . 61.9 m -106.84 123.81 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.85 114.95 33.71 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.744 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.432 ' HB3' HD22 ' A' ' 15' ' ' LEU . 51.6 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 122.342 2.028 . . . . 0.0 112.301 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.74 120.24 31.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -115.59 167.0 11.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 14' ' ' THR . 7.3 t -103.49 115.97 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.023 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.64 162.44 8.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.66 -27.95 21.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.238 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -82.77 -16.92 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 t30 70.09 83.26 0.15 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.78 25.78 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.12 143.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.01 -156.08 10.76 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.642 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -129.24 146.46 51.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.696 0.284 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.67 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 111.081 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.33 169.05 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.644 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.6 m -60.96 -179.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 26' ' ' LEU . 1.8 pp -97.6 29.4 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.23 31.64 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -141.65 -45.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 95.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -30.64 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.9 m -66.21 -38.81 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.122 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.889 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.95 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -38.64 89.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.8 pttt -66.93 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.9 mt -67.74 -41.38 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -65.22 -31.71 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t -99.64 0.01 41.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.72 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.94 -43.85 6.24 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.804 0.335 . . . . 0.0 111.216 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.67 84.9 9.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.53 -179.55 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.631 2.221 . . . . 0.0 112.222 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.551 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 0.7 OUTLIER 172.45 143.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.801 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 43' ' ' ALA . 74.8 m -86.91 -105.35 0.07 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.977 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 42' ' ' THR . . . -59.82 -32.79 70.98 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.462 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 31.3 mt-30 -64.17 -38.28 90.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' ARG . 32.6 t70 -69.4 -35.99 76.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.054 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.3 mm-40 -64.28 -43.64 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -68.16 -37.68 81.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.127 0.489 . . . . 0.0 110.392 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -41.57 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.264 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.2 pp -71.91 -33.36 68.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.477 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.841 ' N ' HD12 ' A' ' 49' ' ' LEU . 28.2 ttt180 -67.31 -34.99 78.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.97 -34.23 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.12 39.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.13 129.28 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.2 m -64.99 81.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.35 167.05 9.55 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -126.27 88.6 2.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -52.72 6.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.92 -73.35 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.569 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.88 -21.87 58.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.647 0.26 . . . . 0.0 111.108 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.78 85.75 2.01 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.309 . . . . 0.0 111.03 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 59.4 Cg_endo -72.28 127.85 13.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.488 2.125 . . . . 0.0 112.197 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.99 159.36 42.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.6 t -146.86 156.73 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.437 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.6 m -104.93 124.01 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -121.09 114.88 31.93 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.758 ' HB3' HD22 ' A' ' 15' ' ' LEU . 74.7 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.428 2.086 . . . . 0.0 112.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.91 121.62 29.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.04 167.12 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 14' ' ' THR . 10.6 t -105.04 115.65 30.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -63.7 161.76 33.76 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.696 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.81 -25.36 15.31 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.589 2.193 . . . . 0.0 112.231 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.557 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -84.61 -14.18 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 63.85 83.63 0.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -155.99 26.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.08 138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.014 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.48 -159.43 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.574 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 m -124.83 146.39 49.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.75 121.81 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.411 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 169.02 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.568 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.0 t -56.06 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -94.68 37.89 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.032 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -150.81 29.62 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -125.61 -48.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 125.62 27.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.89 -30.93 68.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.728 HG13 ' HE3' ' A' ' 34' ' ' LYS . 32.0 t -67.21 -42.56 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.92 85.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -68.31 -35.73 78.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.402 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.728 ' HE3' HG13 ' A' ' 31' ' ' VAL . 7.2 pttt -70.07 -32.75 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.096 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.454 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.9 mt -71.05 -36.93 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 111.003 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -75.08 -27.1 19.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.04 -0.18 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.514 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -80.73 0.15 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.44 -54.32 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.084 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 74.4 Cg_exo -49.93 107.1 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.51 2.14 . . . . 0.0 112.493 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -152.58 68.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 p -109.59 -176.33 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -32.99 61.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -64.39 -31.48 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -35.97 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.733 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.605 ' HA ' HD23 ' A' ' 49' ' ' LEU . 4.1 tt0 -65.93 -42.43 90.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 17.8 ptpt -68.01 -37.78 81.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.313 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -41.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.076 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -70.15 -38.37 75.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 110.492 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -67.32 -37.03 82.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.651 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.1 -28.01 62.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -96.76 38.12 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -123.64 129.43 51.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.3 p -86.09 78.11 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' PHE . . . 103.46 179.9 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 36.8 m-85 -161.92 88.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.779 0.323 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.678 ' HB3' HG22 ' A' ' 60' ' ' THR . 1.9 t0 -62.48 -29.7 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.658 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.19 -41.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -19.0 8.65 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.678 HG22 ' HB3' ' A' ' 57' ' ' ASP . 14.6 t -94.62 107.65 31.74 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.737 0.303 . . . . 0.0 111.398 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.69 128.0 5.84 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.591 2.194 . . . . 0.0 112.15 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -138.04 155.57 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.253 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -135.89 159.66 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.488 ' N ' HG12 ' A' ' 63' ' ' VAL . 12.9 t -106.21 123.79 48.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.95 132.82 22.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HB3' HD22 ' A' ' 15' ' ' LEU . 58.6 Cg_endo . . . . . 0 C--N 1.345 0.35 0 C-N-CA 122.446 2.097 . . . . 0.0 112.427 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.777 0.322 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.92 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 p -116.74 167.06 11.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -100.75 115.98 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -61.6 163.6 11.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.765 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -51.19 -26.77 20.65 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.454 2.102 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.65 -13.1 54.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.71 82.64 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -156.5 27.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.007 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.88 142.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.75 -152.26 7.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.701 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.13 146.73 51.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -118.67 121.9 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.118 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -138.95 167.09 22.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.799 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -58.22 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 26' ' ' LEU . 1.3 pp -96.24 31.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 mt -146.78 41.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -151.43 -42.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.47 116.84 2.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -36.64 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.4 m -67.93 -39.58 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.873 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.02 -36.88 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -66.79 -37.32 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -68.89 -32.46 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 0.0 111.024 -179.737 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.3 mt -69.22 -38.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -69.87 -32.23 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.014 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -96.15 0.17 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.362 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -83.34 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.705 0.288 . . . . 0.0 110.829 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 174.78 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.093 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 35.4 Cg_endo -65.1 146.25 86.64 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.467 2.112 . . . . 0.0 112.53 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.9 98.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -174.03 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.081 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.95 -32.75 61.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.182 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.76 -32.33 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.0 -35.92 74.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.685 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -41.28 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -39.41 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -35.88 81.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.725 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 tp -70.24 -34.7 73.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -37.47 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.703 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -98.25 34.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.2 138.24 52.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -57.23 95.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.77 179.78 4.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.22 101.68 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.55 166.62 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -130.43 44.37 1.22 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -106.04 87.29 2.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HB2' HD23 ' A' ' 26' ' ' LEU . 52.9 Cg_endo -69.48 129.42 17.86 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.468 2.112 . . . . 0.0 112.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -136.75 156.71 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.0 150.39 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.94 123.85 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.008 0.432 . . . . 0.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -126.6 122.06 23.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.679 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.346 2.03 . . . . 0.0 112.36 -179.728 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.63 124.82 28.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -118.79 152.91 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 14' ' ' THR . 10.0 t -99.47 115.89 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -57.99 160.71 8.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.788 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.69 -25.66 15.54 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.654 2.236 . . . . 0.0 112.11 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -85.41 -16.39 39.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.719 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.61 86.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.14 24.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? 62.75 139.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.37 -156.52 10.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.704 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 m -126.18 146.67 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.644 0.259 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -118.32 121.77 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -179.72 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -145.03 169.31 18.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.507 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 176.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.662 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.42 31.98 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 mt -142.97 31.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -139.32 -47.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' SG ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.62 125.83 25.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -35.82 77.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.1 m -64.48 -42.19 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.434 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -65.42 -37.35 86.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.0 p -69.39 -36.91 77.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.416 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 31' ' ' VAL . 16.4 pttm -70.09 -32.6 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.024 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' CE ' ' A' ' 38' ' ' LYS . 28.0 mm -69.45 -35.93 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.78 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 32' ' ' ALA . 16.4 mm -71.57 -30.68 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.6 p -96.07 -12.96 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.358 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' CE ' HD13 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -54.0 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.08 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -176.27 -53.79 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.084 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 32.2 Cg_exo -58.54 131.11 40.64 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.202 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -162.53 65.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -126.63 -176.83 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.97 62.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 11.8 mt-30 -63.67 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -70.23 -36.09 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -69.22 -40.37 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 2.1 ptpt -68.0 -37.62 81.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.39 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.8 -44.62 85.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.0 pp -72.06 -35.98 69.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.116 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.648 ' N ' HD12 ' A' ' 49' ' ' LEU . 19.6 mtt180 -67.31 -35.29 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.572 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.52 -29.71 66.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.976 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -96.89 36.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.07 126.99 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.43 72.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.75 177.21 19.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -166.89 133.36 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 19.13 3.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 53.15 26.92 29.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.748 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -159.79 -45.19 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 111.055 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 60' ' ' THR . 9.2 t -84.62 111.76 37.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.51 117.29 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.712 2.275 . . . . 0.0 112.477 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -138.0 161.18 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 64' ' ' CYS . 20.9 t -144.62 159.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.491 ' N ' HG12 ' A' ' 63' ' ' VAL . 4.5 t -103.51 124.39 48.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 114.82 31.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.784 ' HB3' HD22 ' A' ' 15' ' ' LEU . 73.9 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.441 2.094 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.761 0.315 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.65 117.75 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -123.24 159.62 28.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -94.41 115.84 28.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -61.04 161.73 15.21 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.787 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.0 Cg_endo -50.41 -25.85 14.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.601 2.2 . . . . 0.0 112.07 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -82.12 -19.01 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 69.33 80.84 0.18 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -152.88 23.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt 62.44 132.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.77 -160.33 10.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.719 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -129.22 133.58 47.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 23.7 p -118.62 130.4 55.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.125 0.488 . . . . 0.0 111.516 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -145.05 169.5 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.143 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 t -49.95 176.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.91 30.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -144.82 31.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -134.4 -54.51 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.4 136.68 57.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.23 -31.52 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.731 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.676 HG13 ' HE3' ' A' ' 34' ' ' LYS . 31.9 t -70.23 -40.46 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.38 -37.03 85.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -68.09 -36.44 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HE3' HG13 ' A' ' 31' ' ' VAL . 3.0 pttt -69.95 -33.3 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.11 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 32' ' ' ALA . 17.2 mt -70.72 -36.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -74.11 -29.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.0 t -88.45 -30.96 19.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -66.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -177.18 80.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.77 83.28 2.25 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.444 2.096 . . . . 0.0 112.413 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -173.22 70.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.03 135.06 19.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.432 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . . . -54.84 -32.02 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.06 -34.35 64.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -35.96 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HA ' HD21 ' A' ' 49' ' ' LEU . 9.4 pt-20 -71.07 -40.94 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.3 ptpm? -68.21 -37.6 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.447 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.77 -43.22 80.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.5 pp -72.21 -39.47 68.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.931 0.396 . . . . 0.0 110.005 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.815 ' N ' HD12 ' A' ' 49' ' ' LEU . 3.2 mtt85 -67.47 -38.2 84.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.694 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -73.21 -33.18 65.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' CYS . 1.4 m -97.71 37.92 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.131 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.94 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.3 p -79.71 60.66 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.39 143.85 5.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -112.05 106.43 15.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.17 136.96 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.44 45.51 2.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -158.11 -45.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -127.07 101.74 25.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.54 149.87 79.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.097 . . . . 0.0 112.116 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -135.82 155.26 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.46 154.28 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 3.7 t -104.27 123.97 48.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.18 114.57 40.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.112 . . . . 0.0 112.235 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.771 0.32 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 123.15 26.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.74 167.17 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.44 115.88 30.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -61.14 163.23 10.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.69 -26.92 18.38 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -83.83 -16.7 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.55 85.87 0.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -154.02 24.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.75 133.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.22 -155.99 8.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.94 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 m -130.85 147.5 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -117.49 122.6 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.12 0.486 . . . . 0.0 111.018 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -129.28 164.76 22.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -173.41 0.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.088 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.828 HD23 ' HB2' ' A' ' 61' ' ' PRO . 2.4 pp -82.52 4.6 23.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.352 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.08 23.39 3.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.41 -39.62 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.03 118.28 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -39.31 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.4 m -63.1 -38.72 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.996 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.408 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -62.92 -37.06 85.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.832 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -66.84 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.25 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -65.14 -31.9 73.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 -179.777 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.0 mm -70.21 -41.6 78.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 110.964 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 32' ' ' ALA . 27.5 mm -62.3 -33.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.917 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p -83.9 -26.39 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -73.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.93 93.59 1.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.78 -157.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.697 2.264 . . . . 0.0 112.511 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER 176.12 159.04 0.28 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -75.32 -124.15 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.71 -32.66 59.87 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-O 120.746 0.308 . . . . 0.0 111.562 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.926 0.393 . . . . 0.0 110.997 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 41' ' ' ARG . 17.5 t70 -70.14 -35.94 74.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -66.71 -40.74 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 8.4 ptmt -66.54 -37.41 84.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.302 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -39.91 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 45' ' ' ASP . 0.8 OUTLIER -65.97 -44.05 86.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.411 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -39.31 93.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -72.05 -31.15 65.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -106.81 42.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.34 152.82 35.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.0 p -92.29 23.79 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.498 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.14 -137.86 32.32 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.815 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 70.13 -64.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.02 143.97 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.92 -38.8 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -84.33 -60.42 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 m -60.5 113.27 7.11 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.828 ' HB2' HD23 ' A' ' 26' ' ' LEU . 49.4 Cg_exo -55.38 131.95 49.32 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.44 2.093 . . . . 0.0 112.32 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -137.51 146.23 43.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.697 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -135.33 152.6 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.942 0.401 . . . . 0.0 111.307 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.1 123.92 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.318 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.3 m -116.32 114.47 40.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.483 2.122 . . . . 0.0 112.474 -179.763 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.27 121.09 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 p -119.09 166.92 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -103.78 115.8 31.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -59.24 161.97 8.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.755 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.44 -24.98 17.62 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.622 2.215 . . . . 0.0 112.21 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -10.65 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.58 83.84 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.923 0.392 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.485 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -154.45 25.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.006 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 141.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.52 -165.85 30.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.67 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -119.25 146.58 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 110.706 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.53 121.92 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 169.02 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -60.18 177.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.787 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -95.57 35.87 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -132.42 35.49 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -158.23 -42.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.41 136.03 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.86 -43.04 94.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.513 HG13 ' CE ' ' A' ' 34' ' ' LYS . 10.1 t -68.34 -38.8 79.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.828 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.19 -36.82 85.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.761 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -41.22 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.353 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' CE ' HG13 ' A' ' 31' ' ' VAL . 5.7 pttt -64.7 -32.36 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 32' ' ' ALA . 11.3 mt -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.805 HD13 ' HB3' ' A' ' 40' ' ' PRO . 26.3 mm -66.09 -34.91 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -78.8 -21.56 47.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -89.13 -58.87 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.917 0.389 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 84.95 0.1 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.805 ' HB3' HD13 ' A' ' 36' ' ' ILE . 93.5 Cg_endo -82.05 66.59 8.33 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.413 2.075 . . . . 0.0 112.421 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.17 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -162.85 150.66 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.3 -33.01 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -71.56 -31.44 66.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -36.03 74.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.452 ' HA ' HD21 ' A' ' 49' ' ' LEU . 2.2 tm-20 -67.04 -41.44 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 1.4 ptmt -68.12 -37.23 80.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.01 0.433 . . . . 0.0 110.695 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -70.05 -41.98 73.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.86 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.5 pp -72.28 -40.1 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.575 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.86 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.99 -34.11 75.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.883 0.373 . . . . 0.0 110.581 179.447 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -103.37 40.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -120.26 142.79 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 p -94.68 30.14 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.65 -140.76 45.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.699 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 63.11 168.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.83 -49.69 2.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -34.81 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.625 HG22 ' HD2' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -101.28 141.83 23.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.625 ' HD2' HG22 ' A' ' 60' ' ' THR . 65.8 Cg_endo -73.65 140.2 29.16 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.158 . . . . 0.0 112.39 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -138.0 154.94 49.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 64' ' ' CYS . 22.1 t -144.0 158.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.485 ' N ' HG12 ' A' ' 63' ' ' VAL . 2.5 m -100.85 131.25 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.68 115.75 19.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.465 2.11 . . . . 0.0 112.297 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.864 0.364 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.7 118.8 28.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.1 167.16 10.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 t -112.12 115.66 29.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -69.34 160.76 77.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.24 -26.97 8.9 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.488 2.126 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' CB ' HD12 ' A' ' 15' ' ' LEU . 9.0 t-20 -81.53 -17.84 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 m120 64.08 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.06 23.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.079 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 62.58 132.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.47 -174.95 33.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.587 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -118.48 146.31 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.7 p -118.79 126.26 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 111.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 169.23 18.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.627 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -55.34 -175.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 26' ' ' LEU . 3.6 pp -97.41 31.61 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.7 mt -146.41 28.7 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.46 -51.29 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 119.59 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.72 -38.23 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 32' ' ' ALA . 28.3 m -63.72 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -60.24 -36.82 78.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -66.08 -38.69 88.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.479 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -68.42 -31.99 71.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.472 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.9 mm -69.6 -37.04 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 32' ' ' ALA . 15.4 mm -71.82 -30.88 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.6 -19.79 23.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -65.94 0.48 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 179.29 -55.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.987 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 71.7 Cg_exo -48.93 131.82 25.93 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.502 2.135 . . . . 0.0 112.426 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -170.4 88.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -153.64 -170.75 3.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' H ' HG22 ' A' ' 42' ' ' THR . . . -58.98 -32.96 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -59.68 -31.78 69.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.38 -35.78 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 17.4 mt-10 -68.71 -38.73 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.345 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.442 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.7 ptpt -68.16 -37.6 81.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.924 0.392 . . . . 0.0 110.321 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -44.72 88.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -71.48 -32.95 68.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.077 0.465 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.734 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.9 ttp180 -67.34 -34.69 77.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.629 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -33.63 69.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -112.74 46.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.682 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -108.54 146.87 32.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 70.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.064 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.34 -166.82 12.88 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.696 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -111.1 -20.38 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 111.252 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.55 127.0 16.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.86 0.362 . . . . 0.0 111.184 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.89 -34.94 7.41 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -31.21 67.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.89 98.53 7.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HB2' HD23 ' A' ' 26' ' ' LEU . 36.6 Cg_endo -65.64 107.49 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.387 2.058 . . . . 0.0 112.285 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -135.84 147.47 48.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.977 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.4 t -137.67 156.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.439 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.6 m -101.0 123.97 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.62 114.8 39.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HB3' HD22 ' A' ' 15' ' ' LEU . 42.1 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.456 2.104 . . . . 0.0 112.315 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.98 123.96 29.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.1 p -116.48 167.02 11.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 14' ' ' THR . 7.2 t -101.45 116.02 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.51 163.24 15.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 77.8 Cg_exo -50.56 -26.62 17.14 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.505 2.137 . . . . 0.0 112.299 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.24 -17.92 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.52 83.75 0.16 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.0 29.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.783 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.95 142.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.61 -149.75 6.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -118.41 121.68 40.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -145.28 165.56 28.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.661 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 p -61.79 -178.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.774 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.705 HD22 ' HB2' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -94.99 33.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 26' ' ' LEU . 11.1 mt -141.96 28.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -130.64 -53.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.26 112.77 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.714 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -36.96 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 11.7 p -68.69 -40.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.34 -37.02 85.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -37.2 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.482 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -69.77 -33.03 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.693 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.4 mt -70.63 -35.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 32' ' ' ALA . 14.4 mm -74.45 -32.79 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.02 0.12 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.325 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -79.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 111.036 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -179.33 -61.59 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 13.7 Cg_endo -56.87 140.48 91.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.551 2.167 . . . . 0.0 112.403 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.45 90.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.43 -174.65 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.66 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.351 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 6.0 mt-30 -59.76 -29.68 68.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.84 -35.97 72.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.33 -44.02 76.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.46 -37.59 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.553 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -67.27 -35.87 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.5 tp -72.2 -33.02 67.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.258 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -66.93 -35.35 79.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.91 -34.95 69.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.47 38.09 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -115.67 105.22 12.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -54.91 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.146 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.79 -177.82 38.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.636 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -137.22 111.06 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.62 -72.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.66 -48.2 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.86 -38.64 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -95.69 102.46 10.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.705 ' HB2' HD22 ' A' ' 26' ' ' LEU . 43.0 Cg_endo -67.94 135.88 36.5 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.389 2.059 . . . . 0.0 112.285 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 157.24 46.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.75 152.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.05 124.28 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.41 116.94 23.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--N 1.347 0.468 0 C-N-CA 122.394 2.062 . . . . 0.0 112.146 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.841 0.353 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.76 122.4 33.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 31.7 p -115.64 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.04 115.81 30.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -59.85 162.07 10.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.47 -25.02 17.87 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.629 2.219 . . . . 0.0 112.098 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.96 -11.51 52.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 63.68 81.12 0.21 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.876 0.37 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.497 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.6 m-20 -149.61 24.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.6 141.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.07 -171.87 36.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.563 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 m -115.13 146.68 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.689 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 1.5 t -118.63 121.85 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.017 0.437 . . . . 0.0 111.301 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -145.08 168.66 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.537 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m -58.03 179.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.4 pp -93.61 29.66 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.245 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.9 29.08 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -127.49 -49.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 133.02 55.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -43.14 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 32' ' ' ALA . 9.0 p -67.49 -42.06 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.617 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 31' ' ' VAL . . . -65.22 -36.74 85.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.688 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 m -66.83 -36.27 81.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.546 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -70.02 -32.77 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.107 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.48 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.1 mm -70.06 -36.06 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 32' ' ' ALA . 16.3 mm -73.54 -29.96 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -102.65 -0.0 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.67 -82.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.74 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.983 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 37.9 Cg_endo -66.17 143.38 71.06 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.375 2.05 . . . . 0.0 112.509 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.71 75.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.693 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -93.82 179.1 5.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.999 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.438 ' H ' HG22 ' A' ' 42' ' ' THR . . . -65.05 -32.63 74.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.21 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.444 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -35.93 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' HD21 ' A' ' 49' ' ' LEU . 22.9 mm-40 -68.7 -38.59 80.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.307 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.99 -37.75 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.887 0.375 . . . . 0.0 110.459 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -45.32 86.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.9 pp -72.13 -35.52 69.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.018 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.8 mtm-85 -67.41 -36.5 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.5 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.06 -33.97 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 m -97.56 37.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.78 130.94 56.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.73 50.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.44 144.24 10.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.581 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.99 31.45 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.63 156.46 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -26.86 6.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.568 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -83.6 -38.88 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.014 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.01 90.04 3.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.31 146.43 56.76 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.484 2.123 . . . . 0.0 112.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 163.2 32.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -149.35 147.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.95 124.94 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.37 115.96 25.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.778 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 122.382 2.055 . . . . 0.0 112.256 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.866 0.365 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.33 126.62 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 1.4 t -120.56 147.7 44.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 14' ' ' THR . 11.0 t -98.87 115.7 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.12 161.14 4.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -50.98 -27.74 22.1 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.691 2.261 . . . . 0.0 112.2 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.98 -14.5 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.58 84.77 0.14 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.912 0.387 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.63 23.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.42 140.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.34 -164.36 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.554 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.49 146.39 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -118.66 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.432 . . . . 0.0 111.274 -179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 169.07 18.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.437 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 175.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.805 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.1 pp -94.3 33.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -140.44 36.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.442 ' HG3' HD12 ' A' ' 27' ' ' LEU . 17.7 mt-30 -151.81 -44.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.36 118.12 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -40.01 75.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 16.2 m -63.85 -38.78 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.02 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.12 -36.95 85.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -65.09 -43.93 90.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.171 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -62.73 -31.76 72.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.972 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 32' ' ' ALA . 15.7 mt -71.18 -36.35 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 32' ' ' ALA . 28.9 mm -67.1 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -82.55 -24.64 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.191 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -91.01 -50.53 5.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.4 78.7 67.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.53 86.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 61.69 112.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.13 165.7 26.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 4.0 mt-30 -73.76 -31.81 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.546 ' OD1' HG21 ' A' ' 35' ' ' ILE . 3.3 t70 -70.74 -35.89 72.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.1 tp10 -68.05 -43.87 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.206 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.29 -37.61 80.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.448 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -41.69 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -72.0 -34.8 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.392 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.83 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -67.17 -38.7 85.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.548 179.44 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.21 -33.27 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.41 45.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.035 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -116.98 120.74 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.7 m -67.41 76.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.61 144.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.5 -33.51 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.51 -68.99 0.16 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.42 -28.2 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -134.46 -43.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 m -97.94 100.28 8.37 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.15 149.66 64.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.509 2.139 . . . . 0.0 112.257 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 157.02 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.4 t -140.91 155.73 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.422 ' N ' HG12 ' A' ' 63' ' ' VAL . 4.8 t -101.02 123.9 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.3 m -118.05 118.66 34.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.535 ' HB3' HD22 ' A' ' 15' ' ' LEU . 56.9 Cg_endo . . . . . 0 C--N 1.346 0.415 0 C-N-CA 122.404 2.069 . . . . 0.0 112.243 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.792 0.329 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.11 119.47 37.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -123.37 166.91 14.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -104.07 115.93 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -57.84 161.29 6.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.757 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.44 -25.37 18.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.65 2.233 . . . . 0.0 112.144 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -87.22 -11.35 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.59 84.15 0.16 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.553 ' HB2' HD11 ' A' ' 15' ' ' LEU . 44.4 m-20 -154.3 25.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.12 137.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.39 -155.45 8.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.598 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -131.23 146.77 52.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.641 0.258 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.0 t -118.5 122.84 43.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 111.317 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.01 167.58 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -57.24 -179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 61' ' ' PRO . 4.1 pp -94.44 21.71 6.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.206 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.43 27.15 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 110.715 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -45.82 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 127.43 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -39.33 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 10.6 p -68.24 -39.45 81.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.619 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.28 -36.88 85.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.94 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.5 81.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -70.05 -32.71 70.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 111.154 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 32' ' ' ALA . 15.6 mt -71.2 -36.9 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 32' ' ' ALA . 15.3 mm -74.38 -26.21 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 0.11 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -78.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.27 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.66 -60.46 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 14.8 Cg_endo -56.95 132.33 50.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.495 2.13 . . . . 0.0 112.33 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.43 76.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -173.2 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.21 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -65.78 -31.5 72.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.06 -35.95 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.639 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -43.33 90.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -68.01 -37.98 82.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -68.67 -35.86 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.66 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.429 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -67.12 -37.52 84.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.675 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.53 -35.98 81.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -100.75 40.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.688 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.43 132.15 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.61 63.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.93 179.46 20.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -148.13 126.11 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 -39.7 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.0 -60.62 0.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -49.17 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.1 m -104.29 89.06 2.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.656 ' HB2' HD23 ' A' ' 26' ' ' LEU . 41.6 Cg_endo -67.44 140.31 52.13 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.473 2.116 . . . . 0.0 112.25 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.31 158.51 39.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.044 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.6 t -142.08 157.77 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.449 ' N ' HG12 ' A' ' 63' ' ' VAL . 3.2 m -102.37 123.85 46.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.5 115.02 27.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.39 2.06 . . . . 0.0 112.416 -179.746 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.735 0.302 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.22 127.84 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t -126.0 154.47 42.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 t -97.12 115.67 27.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -59.33 161.71 9.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.1 Cg_endo -50.43 -25.81 14.88 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.609 2.206 . . . . 0.0 112.287 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -83.85 -17.67 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t30 69.72 86.05 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -159.02 28.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm 63.19 142.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.17 -149.38 6.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.829 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 146.77 52.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.732 0.301 . . . . 0.0 110.832 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.73 41.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.949 0.404 . . . . 0.0 110.757 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -145.36 169.03 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.622 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -64.08 -176.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.621 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.682 HD23 ' HB2' ' A' ' 61' ' ' PRO . 4.5 pp -94.06 26.58 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.69 32.72 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -153.96 -44.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.34 124.93 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.45 -36.01 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.823 HG13 ' HE2' ' A' ' 34' ' ' LYS . 30.2 t -68.28 -38.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.827 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.96 -36.89 85.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.73 -38.5 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.418 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.823 ' HE2' HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -67.81 -31.95 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.986 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 32' ' ' ALA . 9.6 mt -70.93 -39.71 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.383 . . . . 0.0 110.963 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 32' ' ' ALA . 18.9 mm -69.5 -30.78 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.8 t -81.83 -26.56 34.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -79.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.03 72.57 1.04 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.2 94.13 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.775 2.317 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 42' ' ' THR . 4.1 ttm180 -178.42 68.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -170.05 151.21 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.05 -32.9 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -59.93 -31.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -35.84 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.83 -43.3 79.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -67.9 -37.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -35.91 82.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.714 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 2.7 tp -71.97 -39.18 69.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.329 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -67.12 -35.9 80.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -32.18 73.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.12 38.26 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -100.61 122.39 43.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 62' ' ' LYS . 38.7 t -80.0 71.46 6.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.64 157.52 52.67 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -177.18 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.37 -26.92 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.78 136.97 7.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.323 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.43 -58.57 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -46.59 131.83 8.17 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.682 ' HB2' HD23 ' A' ' 26' ' ' LEU . 74.0 Cg_endo -74.86 127.35 10.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.574 2.183 . . . . 0.0 112.672 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -138.16 162.97 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 179.751 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -148.04 143.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 111.528 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.1 t -100.91 123.98 45.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.8 129.21 25.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.835 ' HB3' HD22 ' A' ' 15' ' ' LEU . 74.3 Cg_endo . . . . . 0 C--N 1.347 0.469 0 C-N-CA 122.473 2.115 . . . . 0.0 112.317 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.852 0.358 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.76 121.8 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 52.7 t -117.82 154.06 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 t -105.7 115.87 30.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -60.66 160.64 18.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.739 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -50.6 -25.5 14.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HB3' HD12 ' A' ' 15' ' ' LEU . 5.2 t-20 -86.59 -13.95 44.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 66.74 85.38 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.829 0.347 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.2 m-20 -149.79 22.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.77 133.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -158.28 8.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.684 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 m -128.31 146.64 50.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.524 0.202 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -118.48 124.27 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.473 . . . . 0.0 111.395 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -145.27 168.46 20.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.3 m -60.05 174.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 61' ' ' PRO . 1.0 OUTLIER -93.98 29.5 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.085 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.27 26.1 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -131.78 -52.15 0.99 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 115.6 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.95 -31.62 63.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.1 m -69.72 -38.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.872 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.2 t -66.93 -37.34 84.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.478 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.6 pttp -68.73 -32.44 72.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 111.021 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.5 mt -69.05 -38.84 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 32' ' ' ALA . 18.7 mm -66.94 -33.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -75.75 -27.5 58.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.982 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.37 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.91 88.11 3.26 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.97 103.52 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.517 2.144 . . . . 0.0 112.461 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 63.29 129.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.333 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.81 154.22 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 46' ' ' GLU . . . -55.01 -38.01 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 7.0 mt-30 -75.32 -36.88 61.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -70.18 -37.35 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.293 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -71.06 -40.57 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.694 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.95 -37.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.677 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -70.12 -41.15 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.396 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.1 pp -70.26 -32.97 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.721 0.296 . . . . 0.0 110.49 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.864 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.8 ttt180 -64.06 -37.7 88.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.407 . . . . 0.0 110.5 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.3 -31.33 63.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.924 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -114.2 45.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -127.71 141.82 51.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 111.322 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.4 m -93.2 25.38 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.08 143.23 18.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.581 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -108.33 -28.68 9.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.724 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.63 166.13 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.07 14.89 63.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.98 -18.5 11.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.645 0.26 . . . . 0.0 111.204 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.1 m -102.84 96.4 7.69 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.979 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.499 ' HB2' HD21 ' A' ' 26' ' ' LEU . 75.4 Cg_endo -76.89 112.84 3.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.526 2.151 . . . . 0.0 112.748 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -138.15 163.54 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.611 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -151.15 147.34 15.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.405 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 68.5 m -100.81 123.88 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.909 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.47 114.88 34.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HB3' HD22 ' A' ' 15' ' ' LEU . 43.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.482 2.121 . . . . 0.0 112.285 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -109.6 118.98 38.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.51 166.36 13.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 14' ' ' THR . 11.3 t -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -58.97 161.74 8.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.34 -25.11 17.39 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.617 2.211 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -86.56 -11.36 51.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 64.31 83.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.502 ' HB2' HD11 ' A' ' 15' ' ' LEU . 64.1 m-20 -154.08 24.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm 62.58 139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.017 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.95 -154.37 8.17 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.603 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 2.2 m -130.18 146.58 51.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.643 0.259 . . . . 0.0 110.777 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.51 123.06 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.072 0.463 . . . . 0.0 111.243 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -144.15 169.09 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.631 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.3 m -59.68 178.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.66 29.73 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -139.11 34.86 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -142.18 -46.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.492 ' SG ' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.02 114.86 7.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -30.95 71.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 110.536 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.492 HG12 ' SG ' ' A' ' 29' ' ' CYS . 11.0 p -63.14 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.912 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.933 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.37 -37.01 85.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -66.12 -42.23 89.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -64.0 -31.7 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.959 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 32' ' ' ALA . 13.3 mt -68.51 -41.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.978 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 32' ' ' ALA . 21.6 mm -62.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -73.61 -29.69 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -44.11 91.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -140.79 72.46 29.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.76 118.21 4.85 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 42' ' ' THR . 4.5 mtp85 59.68 107.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -161.33 138.01 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.6 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.22 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.437 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 2.1 tt0 -72.62 -30.33 64.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.26 -35.81 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.65 -43.9 79.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -68.35 -37.15 80.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.71 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.438 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -66.89 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.2 tp -66.42 -40.65 89.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.12 -40.22 86.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -72.94 -31.01 64.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -97.47 38.24 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.71 121.43 25.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.7 p -79.77 62.32 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.41 -175.49 21.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -143.91 100.69 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.386 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.28 169.79 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.9 -24.43 4.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.736 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -115.42 -37.62 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 111.018 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.7 m -109.84 91.31 10.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 150.48 67.94 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.525 2.15 . . . . 0.0 112.144 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -138.03 160.37 39.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.059 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.8 t -145.07 159.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.949 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.5 m -101.65 123.83 46.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 111.083 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.09 114.91 23.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.534 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.555 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.2 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.389 2.059 . . . . 0.0 112.255 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 22' ' ' THR . 1.2 mt-30 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.817 0.341 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.49 117.93 33.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 p -121.5 167.01 13.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.46 115.88 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -58.47 160.64 9.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.787 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.67 -25.54 15.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.623 2.216 . . . . 0.0 112.062 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' CB ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -84.72 -17.13 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.053 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 69.09 86.02 0.13 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -154.94 25.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 62.88 137.94 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 110.984 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.23 -160.97 14.24 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.619 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' GLN . 16.7 m -122.91 146.7 47.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.54 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.23 122.05 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 111.214 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 169.24 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.462 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -56.16 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.8 pp -96.43 30.41 2.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.423 HD12 ' HG2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -146.76 29.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' HG2' HD12 ' A' ' 27' ' ' LEU . 3.8 mm-40 -130.29 -45.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 117.07 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -40.77 83.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.702 HG23 ' HE2' ' A' ' 34' ' ' LYS . 12.7 p -66.05 -38.98 83.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.02 -36.98 86.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.474 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.702 ' HE2' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.006 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 32' ' ' ALA . 14.4 mt -70.99 -36.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 32' ' ' ALA . 21.0 mm -73.87 -33.07 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 t -98.52 -4.63 33.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -76.59 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 16.2 mmtm -159.41 -66.04 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 62.7 Cg_endo -73.31 156.82 50.52 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.375 2.05 . . . . 0.0 112.331 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 179.64 77.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.789 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -121.24 -169.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -32.6 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.361 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -59.63 -31.55 69.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.925 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -36.06 73.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -69.0 -38.24 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.349 -179.491 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 4.3 ptmm? -68.11 -37.56 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.294 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -62.85 -46.46 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.4 pp -71.22 -33.2 69.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.081 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.5 ' N ' HD12 ' A' ' 49' ' ' LEU . 11.1 mmm180 -67.42 -35.55 79.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -34.14 66.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 m -97.25 37.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.99 123.67 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.79 74.23 1.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.44 -178.09 20.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -138.21 66.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.38 156.13 19.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.11 -45.97 1.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -80.78 -28.69 36.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.49 86.23 1.67 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.612 ' HB2' HD23 ' A' ' 26' ' ' LEU . 51.6 Cg_endo -69.23 133.34 26.28 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.569 2.179 . . . . 0.0 112.242 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -137.94 158.08 45.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -144.3 156.56 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.443 ' N ' HG12 ' A' ' 63' ' ' VAL . 8.2 t -105.24 123.82 48.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.09 122.78 29.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.682 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.531 ' HB3' HD22 ' A' ' 15' ' ' LEU . 44.9 Cg_endo . . . . . 0 C--N 1.346 0.44 0 C-N-CA 122.356 2.037 . . . . 0.0 112.156 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.87 0.366 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.56 125.18 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.083 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -120.98 154.12 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 14' ' ' THR . 9.7 t -104.5 115.76 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -58.01 161.09 7.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.686 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.12 -25.4 16.84 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 112.143 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.686 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -84.73 -17.26 38.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.04 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 69.72 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.869 0.366 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.31 24.48 0.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 63.34 135.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.91 -162.18 17.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.728 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -123.33 146.87 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.663 0.268 . . . . 0.0 110.785 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.29 121.66 40.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 111.001 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -145.29 168.99 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.564 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -176.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.799 HD12 HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -95.85 33.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.78 28.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -126.99 -47.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 31' ' ' VAL . 1.8 t -67.92 138.92 56.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.07 -41.52 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.432 HG22 ' SG ' ' A' ' 29' ' ' CYS . 27.8 m -66.27 -39.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.751 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.91 84.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.793 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -63.91 -44.7 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -62.64 -32.11 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.588 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 29.6 mm -71.17 -34.95 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.054 0.454 . . . . 0.0 111.0 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.799 HD11 HD12 ' A' ' 26' ' ' LEU . 20.8 mm -75.1 -33.05 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.185 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -105.61 0.28 26.32 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -50.33 -89.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.194 -0.316 . . . . 0.0 111.263 -179.367 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.504 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 177.53 -67.77 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.47 0.176 . . . . 0.0 110.57 179.547 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 36.9 Cg_endo -64.84 117.36 4.46 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.078 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -119.8 99.92 6.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 43' ' ' ALA . 9.6 m -125.05 164.16 20.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 42' ' ' THR . . . -56.3 -32.37 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.226 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 56.4 mt-30 -59.39 -29.72 67.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.939 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -70.4 -36.74 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 1.9 tt0 -69.36 -39.17 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.1 -37.64 81.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.071 0.462 . . . . 0.0 110.064 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.0 t80 -63.1 -45.41 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.416 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.9 pp -69.38 -37.54 77.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.884 0.374 . . . . 0.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.694 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -67.38 -37.68 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.568 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -97.16 28.15 3.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 139.88 39.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 11.7 p -89.38 50.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.88 -150.62 1.93 Allowed Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.892 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.28 148.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.72 115.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.72 -25.84 26.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.605 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.35 -39.28 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.46 110.82 18.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.85 137.65 38.74 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.343 2.029 . . . . 0.0 112.36 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.76 161.24 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.5 t -146.39 155.48 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.246 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.428 ' N ' HG12 ' A' ' 63' ' ' VAL . 5.2 t -100.93 132.08 46.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -131.59 114.88 15.73 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.675 ' HB3' HD22 ' A' ' 15' ' ' LEU . 38.3 Cg_endo . . . . . 0 C--N 1.346 0.439 0 C-N-CA 122.301 2.001 . . . . 0.0 112.358 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.731 0.3 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.62 121.55 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -118.9 160.37 22.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 14' ' ' THR . 11.5 t -106.92 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.9 162.07 10.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.16 -25.18 16.54 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.539 2.159 . . . . 0.0 112.056 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' CB ' HD12 ' A' ' 15' ' ' LEU . 5.9 t30 -83.74 -15.71 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 65.28 85.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -152.44 23.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 62.58 133.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.21 -172.22 29.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.674 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -124.9 130.76 53.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 31.0 p -118.58 128.35 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.158 0.504 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 169.35 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.028 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -51.84 174.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.676 0.274 . . . . 0.0 110.565 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.83 41.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mt -147.22 30.19 0.95 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -133.01 -56.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.311 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.458 ' SG ' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -56.7 133.33 53.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -66.05 -44.76 83.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.711 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.824 HG23 ' HE3' ' A' ' 34' ' ' LYS . 12.6 p -59.2 -38.88 76.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.785 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.47 -36.99 85.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.824 ' HE3' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -60.09 -35.3 74.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.562 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 32' ' ' ALA . 19.5 mt -68.06 -35.45 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 40' ' ' PRO . 36.5 mm -71.23 -25.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.4 p -88.11 -35.78 17.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.735 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -68.6 -63.38 1.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.317 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.12 80.21 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HB3' HD13 ' A' ' 36' ' ' ILE . 91.7 Cg_endo -81.4 -168.64 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 54.06 93.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.232 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -163.04 154.22 17.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -34.37 69.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.07 -34.77 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.98 -35.83 74.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.712 ' HA ' HD23 ' A' ' 49' ' ' LEU . 37.9 mt-10 -66.28 -42.04 88.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 7.2 ptpp? -68.15 -37.76 81.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.12 -38.68 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.245 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.712 HD23 ' HA ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -70.38 -34.68 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -67.07 -37.25 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.752 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.06 -31.1 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -119.57 46.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -102.34 138.74 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -104.06 29.91 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.68 141.72 33.88 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.61 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.77 28.23 2.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 0.0 110.653 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.34 -46.52 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.768 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.54 33.56 1.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.585 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -179.4 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 60' ' ' THR . 8.1 t -56.59 117.85 19.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.96 114.78 4.07 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.45 2.1 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -138.08 156.52 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -141.8 150.17 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.94 127.51 47.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -117.63 116.67 36.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HB3' HD22 ' A' ' 15' ' ' LEU . 61.3 Cg_endo . . . . . 0 C--N 1.346 0.43 0 C-N-CA 122.393 2.062 . . . . 0.0 112.302 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.821 0.343 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.97 118.42 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.61 167.04 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.999 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -106.29 116.01 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -58.92 161.1 9.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.71 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.3 Cg_endo -50.85 -25.4 15.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.691 2.261 . . . . 0.0 112.187 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.829 ' HB2' HD12 ' A' ' 15' ' ' LEU . 5.0 m-20 -85.73 -15.25 42.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.88 85.44 0.14 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.459 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.5 m-20 -155.2 25.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? 63.2 138.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.942 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.53 -168.19 29.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.599 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -119.96 146.67 45.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.582 0.229 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.5 121.84 41.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 111.278 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -143.38 162.64 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.0 m -55.01 -178.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.5 pp -95.89 28.19 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -139.99 29.15 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -133.05 -53.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 125.91 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.746 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.44 -41.24 93.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.041 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 32' ' ' ALA . 28.2 m -65.21 -40.63 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.763 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.07 -36.98 86.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -36.25 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.402 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.515 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.5 pttt -68.65 -36.17 78.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.895 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.3 mt -66.33 -35.56 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.884 0.373 . . . . 0.0 111.023 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -67.51 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.526 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 p -77.34 -37.46 52.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.735 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -75.88 -22.56 56.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.378 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.19 78.72 2.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -85.83 28.12 0.57 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.855 2.37 . . . . 0.0 112.997 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.79 85.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.01 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -162.95 142.64 8.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.824 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.58 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -61.36 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -35.82 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 34.5 mt-10 -69.19 -42.48 75.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -68.11 -37.7 81.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -69.9 -41.33 74.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.845 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.2 pp -72.05 -33.68 68.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.336 . . . . 0.0 110.254 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.845 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 ttm180 -67.2 -38.96 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.25 -31.67 64.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.577 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 2.1 t -109.49 46.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.397 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -129.03 113.26 14.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.93 45.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 165.41 -170.91 40.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.415 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -155.07 130.72 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -162.83 149.1 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.63 28.01 15.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.609 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.89 -45.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -110.21 71.85 0.64 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 48.9 Cg_endo -68.35 168.68 18.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.558 2.172 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -137.94 160.17 40.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 52' ' ' SER . 21.5 t -142.29 147.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.7 m -100.74 123.81 45.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.078 0.466 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.88 115.19 32.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.615 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HB3' HD22 ' A' ' 15' ' ' LEU . 37.1 Cg_endo . . . . . 0 C--N 1.347 0.475 0 C-N-CA 122.31 2.007 . . . . 0.0 112.422 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.1 117.93 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 9.5 t -114.83 148.55 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 t -96.82 115.78 28.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.716 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -60.33 162.25 11.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 -28.15 17.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.557 2.171 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.825 ' HB2' HD12 ' A' ' 15' ' ' LEU . 4.4 m120 -82.17 -17.25 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 69.52 86.04 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.794 0.33 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.59 25.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? 63.3 137.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.55 -154.77 7.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.824 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -130.15 146.95 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.594 0.235 . . . . 0.0 110.691 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 2.5 t -118.21 121.43 40.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -145.7 169.0 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.353 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.1 m -61.91 -179.26 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.411 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.6 pp -95.23 27.31 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.973 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.2 28.39 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -127.69 -49.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.72 115.85 3.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -32.71 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.036 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.746 HG13 ' HE2' ' A' ' 34' ' ' LYS . 22.7 t -69.33 -43.7 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.19 -36.91 85.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.039 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -35.93 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.372 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.746 ' HE2' HG13 ' A' ' 31' ' ' VAL . 2.3 pttm -70.0 -33.72 72.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.989 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.2 mt -71.22 -41.25 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.519 HD12 ' NH2' ' A' ' 41' ' ' ARG . 13.0 mm -73.72 -34.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.957 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -82.3 -19.36 39.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.992 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 172.25 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.152 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 27.3 Cg_endo -62.28 152.02 78.92 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.406 2.071 . . . . 0.0 112.559 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.519 ' NH2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.578 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -110.81 177.57 4.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.226 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.498 ' H ' HG22 ' A' ' 42' ' ' THR . . . -64.11 -32.36 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.264 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 63.6 mt-30 -59.35 -32.48 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.021 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.26 -36.0 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 8.0 tt0 -70.11 -38.75 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -68.08 -37.66 81.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.992 0.425 . . . . 0.0 110.321 179.532 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.5 -44.95 89.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -72.03 -35.68 69.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 0.0 110.06 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.829 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.42 -36.83 82.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -73.02 -39.71 65.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.2 m -99.17 39.03 1.32 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -104.13 104.61 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -63.41 79.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.94 143.79 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.32 -14.84 12.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.638 0.256 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.88 -46.77 74.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.88 -53.47 0.75 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.594 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -31.64 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.534 HG22 ' HG3' ' A' ' 62' ' ' LYS . 43.7 m -70.71 111.39 9.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.553 ' HB2' HD23 ' A' ' 26' ' ' LEU . 63.6 Cg_endo -73.48 102.05 1.44 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.492 2.128 . . . . 0.0 112.413 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.534 ' HG3' HG22 ' A' ' 60' ' ' THR . 18.5 mtmt -138.06 154.77 49.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -146.93 156.87 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.021 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.451 ' N ' HG12 ' A' ' 63' ' ' VAL . 61.9 m -106.84 123.81 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.85 114.95 33.71 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.744 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.432 ' HB3' HD22 ' A' ' 15' ' ' LEU . 51.6 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 122.342 2.028 . . . . 0.0 112.301 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.74 120.24 31.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -115.59 167.0 11.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 14' ' ' THR . 7.3 t -103.49 115.97 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.023 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.64 162.44 8.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.66 -27.95 21.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.238 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -82.77 -16.92 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 70.09 83.26 0.15 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.78 25.78 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.12 143.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.01 -156.08 10.76 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.642 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -129.24 146.46 51.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.696 0.284 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.67 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 111.081 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.33 169.05 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.644 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.6 m -60.96 -179.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.8 pp -97.6 29.4 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.23 31.64 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -141.65 -45.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 95.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -30.64 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.9 m -66.21 -38.81 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.122 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.889 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.95 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -38.64 89.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.8 pttt -66.93 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.9 mt -67.74 -41.38 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -65.22 -31.71 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t -99.64 0.01 41.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.72 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.94 -43.85 6.24 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.804 0.335 . . . . 0.0 111.216 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.67 84.9 9.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.53 -179.55 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.631 2.221 . . . . 0.0 112.222 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.551 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 0.7 OUTLIER 172.45 143.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.801 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 43' ' ' ALA . 74.8 m -86.91 -105.35 0.07 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.977 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 42' ' ' THR . . . -59.82 -32.79 70.98 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.462 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 31.3 mt-30 -64.17 -38.28 90.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' ARG . 32.6 t70 -69.4 -35.99 76.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.054 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.3 mm-40 -64.28 -43.64 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -68.16 -37.68 81.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.127 0.489 . . . . 0.0 110.392 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -41.57 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.264 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.2 pp -71.91 -33.36 68.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.477 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.841 ' N ' HD12 ' A' ' 49' ' ' LEU . 28.2 ttt180 -67.31 -34.99 78.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.97 -34.23 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.12 39.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.13 129.28 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.2 m -64.99 81.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.35 167.05 9.55 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -126.27 88.6 2.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -52.72 6.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.92 -73.35 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.569 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.88 -21.87 58.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.647 0.26 . . . . 0.0 111.108 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.78 85.75 2.01 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.309 . . . . 0.0 111.03 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 59.4 Cg_endo -72.28 127.85 13.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.488 2.125 . . . . 0.0 112.197 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.99 159.36 42.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.6 t -146.86 156.73 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.437 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.6 m -104.93 124.01 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -121.09 114.88 31.93 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.758 ' HB3' HD22 ' A' ' 15' ' ' LEU . 74.7 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.428 2.086 . . . . 0.0 112.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.91 121.62 29.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.04 167.12 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 14' ' ' THR . 10.6 t -105.04 115.65 30.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -63.7 161.76 33.76 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.696 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.81 -25.36 15.31 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.589 2.193 . . . . 0.0 112.231 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.557 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -84.61 -14.18 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 63.85 83.63 0.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -155.99 26.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.08 138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.014 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.48 -159.43 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.574 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 m -124.83 146.39 49.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.75 121.81 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.411 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 169.02 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.568 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.0 t -56.06 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -94.68 37.89 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.032 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -150.81 29.62 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -125.61 -48.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 125.62 27.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.89 -30.93 68.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.728 HG13 ' HE3' ' A' ' 34' ' ' LYS . 32.0 t -67.21 -42.56 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.92 85.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -68.31 -35.73 78.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.402 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.728 ' HE3' HG13 ' A' ' 31' ' ' VAL . 7.2 pttt -70.07 -32.75 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.096 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.454 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.9 mt -71.05 -36.93 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 111.003 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -75.08 -27.1 19.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.04 -0.18 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.514 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -80.73 0.15 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.44 -54.32 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.084 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 74.4 Cg_exo -49.93 107.1 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.51 2.14 . . . . 0.0 112.493 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -152.58 68.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 p -109.59 -176.33 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -32.99 61.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -64.39 -31.48 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -35.97 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.733 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.605 ' HA ' HD23 ' A' ' 49' ' ' LEU . 4.1 tt0 -65.93 -42.43 90.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 17.8 ptpt -68.01 -37.78 81.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.313 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -41.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.076 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -70.15 -38.37 75.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 110.492 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -67.32 -37.03 82.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.651 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.1 -28.01 62.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -96.76 38.12 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -123.64 129.43 51.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.3 p -86.09 78.11 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' PHE . . . 103.46 179.9 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 36.8 m-85 -161.92 88.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.779 0.323 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.678 ' HB3' HG22 ' A' ' 60' ' ' THR . 1.9 t0 -62.48 -29.7 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.658 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.19 -41.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -19.0 8.65 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.678 HG22 ' HB3' ' A' ' 57' ' ' ASP . 14.6 t -94.62 107.65 31.74 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.737 0.303 . . . . 0.0 111.398 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.69 128.0 5.84 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.591 2.194 . . . . 0.0 112.15 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -138.04 155.57 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.253 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -135.89 159.66 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.488 ' N ' HG12 ' A' ' 63' ' ' VAL . 12.9 t -106.21 123.79 48.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.95 132.82 22.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HB3' HD22 ' A' ' 15' ' ' LEU . 58.6 Cg_endo . . . . . 0 C--N 1.345 0.35 0 C-N-CA 122.446 2.097 . . . . 0.0 112.427 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.777 0.322 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.92 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 p -116.74 167.06 11.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -100.75 115.98 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.459 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -61.6 163.6 11.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.765 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -51.19 -26.77 20.65 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.454 2.102 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.65 -13.1 54.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.71 82.64 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -156.5 27.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.007 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.88 142.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.75 -152.26 7.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.701 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.13 146.73 51.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -118.67 121.9 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.118 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -138.95 167.09 22.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.799 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -58.22 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.3 pp -96.24 31.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 mt -146.78 41.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -151.43 -42.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.47 116.84 2.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -36.64 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.4 m -67.93 -39.58 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.873 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.02 -36.88 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -66.79 -37.32 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -68.89 -32.46 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 0.0 111.024 -179.737 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.3 mt -69.22 -38.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -69.87 -32.23 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.014 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -96.15 0.17 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.362 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -83.34 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.705 0.288 . . . . 0.0 110.829 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 174.78 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.093 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 35.4 Cg_endo -65.1 146.25 86.64 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.467 2.112 . . . . 0.0 112.53 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.9 98.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -174.03 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.081 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.95 -32.75 61.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.182 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.76 -32.33 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.0 -35.92 74.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.685 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -41.28 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -39.41 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -35.88 81.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.725 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 tp -70.24 -34.7 73.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -37.47 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.703 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -98.25 34.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.2 138.24 52.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -57.23 95.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.77 179.78 4.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.22 101.68 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.55 166.62 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -130.43 44.37 1.22 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -106.04 87.29 2.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HB2' HD23 ' A' ' 26' ' ' LEU . 52.9 Cg_endo -69.48 129.42 17.86 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.468 2.112 . . . . 0.0 112.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -136.75 156.71 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.0 150.39 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.94 123.85 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.008 0.432 . . . . 0.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -126.6 122.06 23.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.679 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.346 2.03 . . . . 0.0 112.36 -179.728 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.63 124.82 28.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -118.79 152.91 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 14' ' ' THR . 10.0 t -99.47 115.89 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -57.99 160.71 8.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.788 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.69 -25.66 15.54 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.654 2.236 . . . . 0.0 112.11 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -85.41 -16.39 39.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.61 86.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.14 24.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? 62.75 139.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.37 -156.52 10.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.704 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 m -126.18 146.67 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.644 0.259 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -118.32 121.77 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -179.72 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -145.03 169.31 18.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.507 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 176.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.662 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.42 31.98 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 mt -142.97 31.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -139.32 -47.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' SG ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.62 125.83 25.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -35.82 77.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.1 m -64.48 -42.19 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.434 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -65.42 -37.35 86.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.0 p -69.39 -36.91 77.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.416 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 31' ' ' VAL . 16.4 pttm -70.09 -32.6 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.024 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' CE ' ' A' ' 38' ' ' LYS . 28.0 mm -69.45 -35.93 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.78 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 32' ' ' ALA . 16.4 mm -71.57 -30.68 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.6 p -96.07 -12.96 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.358 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' CE ' HD13 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -54.0 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.08 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -176.27 -53.79 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.084 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 32.2 Cg_exo -58.54 131.11 40.64 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.202 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -162.53 65.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -126.63 -176.83 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.97 62.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 11.8 mt-30 -63.67 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -70.23 -36.09 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -69.22 -40.37 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 2.1 ptpt -68.0 -37.62 81.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.39 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.8 -44.62 85.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.0 pp -72.06 -35.98 69.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.116 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.648 ' N ' HD12 ' A' ' 49' ' ' LEU . 19.6 mtt180 -67.31 -35.29 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.572 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.52 -29.71 66.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.976 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -96.89 36.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.07 126.99 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.43 72.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.75 177.21 19.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -166.89 133.36 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 19.13 3.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 53.15 26.92 29.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.748 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -159.79 -45.19 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 111.055 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 60' ' ' THR . 9.2 t -84.62 111.76 37.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.51 117.29 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.712 2.275 . . . . 0.0 112.477 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -138.0 161.18 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 64' ' ' CYS . 20.9 t -144.62 159.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.491 ' N ' HG12 ' A' ' 63' ' ' VAL . 4.5 t -103.51 124.39 48.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 114.82 31.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.784 ' HB3' HD22 ' A' ' 15' ' ' LEU . 73.9 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.441 2.094 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.761 0.315 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.65 117.75 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -123.24 159.62 28.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -94.41 115.84 28.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -61.04 161.73 15.21 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.787 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.0 Cg_endo -50.41 -25.85 14.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.601 2.2 . . . . 0.0 112.07 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.5 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -82.12 -19.01 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 69.33 80.84 0.18 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -152.88 23.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt 62.44 132.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.77 -160.33 10.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.719 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -129.22 133.58 47.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 23.7 p -118.62 130.4 55.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.125 0.488 . . . . 0.0 111.516 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -145.05 169.5 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.143 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 t -49.95 176.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.91 30.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -144.82 31.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -134.4 -54.51 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.4 136.68 57.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.23 -31.52 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.731 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.676 HG13 ' HE3' ' A' ' 34' ' ' LYS . 31.9 t -70.23 -40.46 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.38 -37.03 85.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -68.09 -36.44 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HE3' HG13 ' A' ' 31' ' ' VAL . 3.0 pttt -69.95 -33.3 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.11 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 32' ' ' ALA . 17.2 mt -70.72 -36.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -74.11 -29.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.0 t -88.45 -30.96 19.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -66.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -177.18 80.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.77 83.28 2.25 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.444 2.096 . . . . 0.0 112.413 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -173.22 70.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.03 135.06 19.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.432 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.411 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . . . -54.84 -32.02 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.06 -34.35 64.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -35.96 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HA ' HD21 ' A' ' 49' ' ' LEU . 9.4 pt-20 -71.07 -40.94 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.3 ptpm? -68.21 -37.6 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.447 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.77 -43.22 80.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.5 pp -72.21 -39.47 68.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.931 0.396 . . . . 0.0 110.005 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.815 ' N ' HD12 ' A' ' 49' ' ' LEU . 3.2 mtt85 -67.47 -38.2 84.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.694 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -73.21 -33.18 65.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' CYS . 1.4 m -97.71 37.92 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.131 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.94 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.3 p -79.71 60.66 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.39 143.85 5.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -112.05 106.43 15.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.17 136.96 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.44 45.51 2.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -158.11 -45.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -127.07 101.74 25.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.54 149.87 79.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.097 . . . . 0.0 112.116 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -135.82 155.26 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.46 154.28 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 3.7 t -104.27 123.97 48.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.18 114.57 40.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.112 . . . . 0.0 112.235 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.771 0.32 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 123.15 26.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.74 167.17 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.44 115.88 30.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -61.14 163.23 10.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.69 -26.92 18.38 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -83.83 -16.7 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.55 85.87 0.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -154.02 24.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.75 133.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.22 -155.99 8.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.94 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 m -130.85 147.5 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -117.49 122.6 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.12 0.486 . . . . 0.0 111.018 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -129.28 164.76 22.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -173.41 0.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.088 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.828 HD23 ' HB2' ' A' ' 61' ' ' PRO . 2.4 pp -82.52 4.6 23.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.352 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.08 23.39 3.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.41 -39.62 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.03 118.28 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -39.31 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.4 m -63.1 -38.72 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.996 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.408 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -62.92 -37.06 85.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.832 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -66.84 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.25 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -65.14 -31.9 73.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 -179.777 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.0 mm -70.21 -41.6 78.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 110.964 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 32' ' ' ALA . 27.5 mm -62.3 -33.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.917 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p -83.9 -26.39 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -73.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.93 93.59 1.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.78 -157.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.697 2.264 . . . . 0.0 112.511 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER 176.12 159.04 0.28 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -75.32 -124.15 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.71 -32.66 59.87 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-O 120.746 0.308 . . . . 0.0 111.562 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.926 0.393 . . . . 0.0 110.997 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 41' ' ' ARG . 17.5 t70 -70.14 -35.94 74.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -66.71 -40.74 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 8.4 ptmt -66.54 -37.41 84.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.302 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -39.91 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 45' ' ' ASP . 0.8 OUTLIER -65.97 -44.05 86.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.411 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -39.31 93.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -72.05 -31.15 65.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -106.81 42.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.34 152.82 35.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.0 p -92.29 23.79 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.498 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.14 -137.86 32.32 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.815 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 70.13 -64.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.02 143.97 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.92 -38.8 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -84.33 -60.42 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 m -60.5 113.27 7.11 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.828 ' HB2' HD23 ' A' ' 26' ' ' LEU . 49.4 Cg_exo -55.38 131.95 49.32 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.44 2.093 . . . . 0.0 112.32 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -137.51 146.23 43.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.697 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -135.33 152.6 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.942 0.401 . . . . 0.0 111.307 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.1 123.92 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.318 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.3 m -116.32 114.47 40.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.483 2.122 . . . . 0.0 112.474 -179.763 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.27 121.09 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 p -119.09 166.92 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -103.78 115.8 31.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -59.24 161.97 8.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.755 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.44 -24.98 17.62 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.622 2.215 . . . . 0.0 112.21 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -10.65 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.58 83.84 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.923 0.392 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.485 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -154.45 25.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.006 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 141.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.52 -165.85 30.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.67 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -119.25 146.58 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 110.706 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.53 121.92 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 169.02 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -60.18 177.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.787 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -95.57 35.87 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -132.42 35.49 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -158.23 -42.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.41 136.03 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.86 -43.04 94.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.513 HG13 ' CE ' ' A' ' 34' ' ' LYS . 10.1 t -68.34 -38.8 79.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.828 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.19 -36.82 85.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.761 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -41.22 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.353 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' CE ' HG13 ' A' ' 31' ' ' VAL . 5.7 pttt -64.7 -32.36 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 32' ' ' ALA . 11.3 mt -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.805 HD13 ' HB3' ' A' ' 40' ' ' PRO . 26.3 mm -66.09 -34.91 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -78.8 -21.56 47.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -89.13 -58.87 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.917 0.389 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 84.95 0.1 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.805 ' HB3' HD13 ' A' ' 36' ' ' ILE . 93.5 Cg_endo -82.05 66.59 8.33 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.413 2.075 . . . . 0.0 112.421 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.17 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -162.85 150.66 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.3 -33.01 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -71.56 -31.44 66.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -36.03 74.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.452 ' HA ' HD21 ' A' ' 49' ' ' LEU . 2.2 tm-20 -67.04 -41.44 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 1.4 ptmt -68.12 -37.23 80.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.01 0.433 . . . . 0.0 110.695 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -70.05 -41.98 73.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.86 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.5 pp -72.28 -40.1 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.575 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.86 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.99 -34.11 75.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.883 0.373 . . . . 0.0 110.581 179.447 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -103.37 40.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -120.26 142.79 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 p -94.68 30.14 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.65 -140.76 45.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.699 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 63.11 168.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.83 -49.69 2.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -34.81 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.625 HG22 ' HD2' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -101.28 141.83 23.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.625 ' HD2' HG22 ' A' ' 60' ' ' THR . 65.8 Cg_endo -73.65 140.2 29.16 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.158 . . . . 0.0 112.39 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -138.0 154.94 49.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 64' ' ' CYS . 22.1 t -144.0 158.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.485 ' N ' HG12 ' A' ' 63' ' ' VAL . 2.5 m -100.85 131.25 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.68 115.75 19.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.465 2.11 . . . . 0.0 112.297 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.864 0.364 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.7 118.8 28.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.1 167.16 10.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 t -112.12 115.66 29.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -69.34 160.76 77.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.24 -26.97 8.9 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.488 2.126 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' CB ' HD12 ' A' ' 15' ' ' LEU . 9.0 t-20 -81.53 -17.84 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 64.08 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.06 23.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.079 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 62.58 132.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.47 -174.95 33.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.587 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -118.48 146.31 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.7 p -118.79 126.26 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 111.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 169.23 18.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.627 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -55.34 -175.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.6 pp -97.41 31.61 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.7 mt -146.41 28.7 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.46 -51.29 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 119.59 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.72 -38.23 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 32' ' ' ALA . 28.3 m -63.72 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -60.24 -36.82 78.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -66.08 -38.69 88.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.479 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -68.42 -31.99 71.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.472 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.9 mm -69.6 -37.04 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 32' ' ' ALA . 15.4 mm -71.82 -30.88 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.6 -19.79 23.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -65.94 0.48 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 179.29 -55.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.987 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 71.7 Cg_exo -48.93 131.82 25.93 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.502 2.135 . . . . 0.0 112.426 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -170.4 88.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -153.64 -170.75 3.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' H ' HG22 ' A' ' 42' ' ' THR . . . -58.98 -32.96 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -59.68 -31.78 69.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.38 -35.78 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 17.4 mt-10 -68.71 -38.73 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.345 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.442 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.7 ptpt -68.16 -37.6 81.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.924 0.392 . . . . 0.0 110.321 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -44.72 88.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -71.48 -32.95 68.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.077 0.465 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.734 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.9 ttp180 -67.34 -34.69 77.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.629 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -33.63 69.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -112.74 46.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.682 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -108.54 146.87 32.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 70.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.064 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.34 -166.82 12.88 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.696 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -111.1 -20.38 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 111.252 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.55 127.0 16.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.86 0.362 . . . . 0.0 111.184 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.89 -34.94 7.41 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -31.21 67.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.89 98.53 7.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HB2' HD23 ' A' ' 26' ' ' LEU . 36.6 Cg_endo -65.64 107.49 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.387 2.058 . . . . 0.0 112.285 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -135.84 147.47 48.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.977 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.4 t -137.67 156.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.439 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.6 m -101.0 123.97 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.62 114.8 39.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HB3' HD22 ' A' ' 15' ' ' LEU . 42.1 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.456 2.104 . . . . 0.0 112.315 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.98 123.96 29.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.1 p -116.48 167.02 11.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 14' ' ' THR . 7.2 t -101.45 116.02 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.51 163.24 15.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 77.8 Cg_exo -50.56 -26.62 17.14 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.505 2.137 . . . . 0.0 112.299 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.24 -17.92 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.52 83.75 0.16 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.0 29.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.783 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.95 142.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.61 -149.75 6.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -118.41 121.68 40.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -145.28 165.56 28.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.661 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 p -61.79 -178.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.774 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.705 HD22 ' HB2' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -94.99 33.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 26' ' ' LEU . 11.1 mt -141.96 28.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -130.64 -53.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.26 112.77 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.714 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -36.96 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 11.7 p -68.69 -40.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.34 -37.02 85.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -37.2 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.482 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -69.77 -33.03 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.693 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.4 mt -70.63 -35.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 32' ' ' ALA . 14.4 mm -74.45 -32.79 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.02 0.12 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.325 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -79.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 111.036 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -179.33 -61.59 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 13.7 Cg_endo -56.87 140.48 91.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.551 2.167 . . . . 0.0 112.403 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.45 90.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.43 -174.65 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.66 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.351 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 6.0 mt-30 -59.76 -29.68 68.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.84 -35.97 72.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.33 -44.02 76.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.46 -37.59 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.553 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -67.27 -35.87 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.5 tp -72.2 -33.02 67.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.258 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -66.93 -35.35 79.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.91 -34.95 69.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.47 38.09 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -115.67 105.22 12.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -54.91 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.146 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.79 -177.82 38.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.636 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -137.22 111.06 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.62 -72.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.66 -48.2 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.86 -38.64 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -95.69 102.46 10.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.705 ' HB2' HD22 ' A' ' 26' ' ' LEU . 43.0 Cg_endo -67.94 135.88 36.5 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.389 2.059 . . . . 0.0 112.285 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 157.24 46.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.75 152.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.05 124.28 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.41 116.94 23.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--N 1.347 0.468 0 C-N-CA 122.394 2.062 . . . . 0.0 112.146 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.841 0.353 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.76 122.4 33.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 31.7 p -115.64 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.04 115.81 30.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -59.85 162.07 10.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.47 -25.02 17.87 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.629 2.219 . . . . 0.0 112.098 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.96 -11.51 52.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 63.68 81.12 0.21 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.876 0.37 . . . . 0.0 111.046 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.497 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.6 m-20 -149.61 24.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.6 141.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.07 -171.87 36.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.563 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 m -115.13 146.68 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 110.689 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 1.5 t -118.63 121.85 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.017 0.437 . . . . 0.0 111.301 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -145.08 168.66 19.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.537 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m -58.03 179.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.4 pp -93.61 29.66 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.245 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.9 29.08 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -127.49 -49.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 133.02 55.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -43.14 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 32' ' ' ALA . 9.0 p -67.49 -42.06 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.617 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 31' ' ' VAL . . . -65.22 -36.74 85.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.688 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 m -66.83 -36.27 81.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.546 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -70.02 -32.77 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.107 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.48 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.1 mm -70.06 -36.06 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 32' ' ' ALA . 16.3 mm -73.54 -29.96 28.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -102.65 -0.0 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.67 -82.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.74 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.983 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 37.9 Cg_endo -66.17 143.38 71.06 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.375 2.05 . . . . 0.0 112.509 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.71 75.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.693 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -93.82 179.1 5.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.999 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' H ' HG22 ' A' ' 42' ' ' THR . . . -65.05 -32.63 74.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.21 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.444 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -35.93 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' HD21 ' A' ' 49' ' ' LEU . 22.9 mm-40 -68.7 -38.59 80.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.307 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.99 -37.75 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.887 0.375 . . . . 0.0 110.459 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -45.32 86.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.9 pp -72.13 -35.52 69.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.018 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.8 mtm-85 -67.41 -36.5 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.5 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.06 -33.97 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 m -97.56 37.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.78 130.94 56.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.73 50.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.44 144.24 10.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.581 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.99 31.45 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.63 156.46 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -26.86 6.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.568 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -83.6 -38.88 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.014 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.01 90.04 3.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.31 146.43 56.76 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.484 2.123 . . . . 0.0 112.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 163.2 32.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -149.35 147.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.9 m -100.95 124.94 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.37 115.96 25.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.778 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 122.382 2.055 . . . . 0.0 112.256 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.866 0.365 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.33 126.62 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 1.4 t -120.56 147.7 44.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 14' ' ' THR . 11.0 t -98.87 115.7 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.12 161.14 4.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -50.98 -27.74 22.1 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.691 2.261 . . . . 0.0 112.2 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.98 -14.5 47.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.58 84.77 0.14 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.912 0.387 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.63 23.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.42 140.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.34 -164.36 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.554 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.49 146.39 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -118.66 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.432 . . . . 0.0 111.274 -179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 169.07 18.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.437 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 175.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.805 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.1 pp -94.3 33.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -140.44 36.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.442 ' HG3' HD12 ' A' ' 27' ' ' LEU . 17.7 mt-30 -151.81 -44.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.36 118.12 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -40.01 75.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 16.2 m -63.85 -38.78 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.02 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.12 -36.95 85.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -65.09 -43.93 90.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.171 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -62.73 -31.76 72.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.972 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 32' ' ' ALA . 15.7 mt -71.18 -36.35 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 32' ' ' ALA . 28.9 mm -67.1 -34.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -82.55 -24.64 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.191 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -91.01 -50.53 5.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.4 78.7 67.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.53 86.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 61.69 112.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.13 165.7 26.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 4.0 mt-30 -73.76 -31.81 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.546 ' OD1' HG21 ' A' ' 35' ' ' ILE . 3.3 t70 -70.74 -35.89 72.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.686 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.1 tp10 -68.05 -43.87 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.206 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.29 -37.61 80.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.448 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -41.69 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.83 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -72.0 -34.8 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.392 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.83 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -67.17 -38.7 85.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.548 179.44 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.21 -33.27 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.41 45.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.035 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -116.98 120.74 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.7 m -67.41 76.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.61 144.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.5 -33.51 64.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.51 -68.99 0.16 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.42 -28.2 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -134.46 -43.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 m -97.94 100.28 8.37 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.15 149.66 64.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.509 2.139 . . . . 0.0 112.257 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 157.02 47.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.4 t -140.91 155.73 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.422 ' N ' HG12 ' A' ' 63' ' ' VAL . 4.8 t -101.02 123.9 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.3 m -118.05 118.66 34.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.535 ' HB3' HD22 ' A' ' 15' ' ' LEU . 56.9 Cg_endo . . . . . 0 C--N 1.346 0.415 0 C-N-CA 122.404 2.069 . . . . 0.0 112.243 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.792 0.329 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.11 119.47 37.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -123.37 166.91 14.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -104.07 115.93 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -57.84 161.29 6.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.757 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.44 -25.37 18.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.65 2.233 . . . . 0.0 112.144 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -87.22 -11.35 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.59 84.15 0.16 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.553 ' HB2' HD11 ' A' ' 15' ' ' LEU . 44.4 m-20 -154.3 25.2 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.12 137.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.39 -155.45 8.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.598 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -131.23 146.77 52.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.641 0.258 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.0 t -118.5 122.84 43.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 111.317 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.01 167.58 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.6 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -57.24 -179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 61' ' ' PRO . 4.1 pp -94.44 21.71 6.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.206 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.43 27.15 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 110.715 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -45.82 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 127.43 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -39.33 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 10.6 p -68.24 -39.45 81.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.619 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.28 -36.88 85.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.94 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.5 81.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -70.05 -32.71 70.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 111.154 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 32' ' ' ALA . 15.6 mt -71.2 -36.9 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 32' ' ' ALA . 15.3 mm -74.38 -26.21 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 0.11 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -78.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.27 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.66 -60.46 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.184 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 14.8 Cg_endo -56.95 132.33 50.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.495 2.13 . . . . 0.0 112.33 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.43 76.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -173.2 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.21 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -65.78 -31.5 72.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -70.06 -35.95 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.639 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -43.33 90.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -68.01 -37.98 82.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -68.67 -35.86 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.66 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -67.73 -38.48 83.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.429 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -67.12 -37.52 84.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.675 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.53 -35.98 81.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -100.75 40.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.688 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -134.43 132.15 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.61 63.21 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.93 179.46 20.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.551 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -148.13 126.11 12.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 -39.7 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.0 -60.62 0.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -49.17 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.1 m -104.29 89.06 2.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.656 ' HB2' HD23 ' A' ' 26' ' ' LEU . 41.6 Cg_endo -67.44 140.31 52.13 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.473 2.116 . . . . 0.0 112.25 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.31 158.51 39.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.044 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.6 t -142.08 157.77 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.449 ' N ' HG12 ' A' ' 63' ' ' VAL . 3.2 m -102.37 123.85 46.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.5 115.02 27.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.39 2.06 . . . . 0.0 112.416 -179.746 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.735 0.302 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.22 127.84 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t -126.0 154.47 42.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 t -97.12 115.67 27.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -59.33 161.71 9.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.1 Cg_endo -50.43 -25.81 14.88 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.609 2.206 . . . . 0.0 112.287 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -83.85 -17.67 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t30 69.72 86.05 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -159.02 28.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm 63.19 142.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.17 -149.38 6.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.829 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 146.77 52.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.732 0.301 . . . . 0.0 110.832 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.73 41.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.949 0.404 . . . . 0.0 110.757 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -145.36 169.03 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.622 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -64.08 -176.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.621 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.682 HD23 ' HB2' ' A' ' 61' ' ' PRO . 4.5 pp -94.06 26.58 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.69 32.72 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -153.96 -44.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.34 124.93 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.45 -36.01 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.989 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.823 HG13 ' HE2' ' A' ' 34' ' ' LYS . 30.2 t -68.28 -38.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.827 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.96 -36.89 85.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.8 m -66.73 -38.5 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.418 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.823 ' HE2' HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -67.81 -31.95 72.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.986 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 32' ' ' ALA . 9.6 mt -70.93 -39.71 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.383 . . . . 0.0 110.963 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 32' ' ' ALA . 18.9 mm -69.5 -30.78 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.8 t -81.83 -26.56 34.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -79.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.03 72.57 1.04 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.2 94.13 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.775 2.317 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 42' ' ' THR . 4.1 ttm180 -178.42 68.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -170.05 151.21 3.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.011 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.05 -32.9 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -59.93 -31.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -35.84 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.83 -43.3 79.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -67.9 -37.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -35.91 82.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.714 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 2.7 tp -71.97 -39.18 69.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.329 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -67.12 -35.9 80.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -32.18 73.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.12 38.26 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -100.61 122.39 43.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 62' ' ' LYS . 38.7 t -80.0 71.46 6.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.64 157.52 52.67 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -177.18 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.793 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.37 -26.92 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.78 136.97 7.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.323 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.43 -58.57 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -46.59 131.83 8.17 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.682 ' HB2' HD23 ' A' ' 26' ' ' LEU . 74.0 Cg_endo -74.86 127.35 10.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.574 2.183 . . . . 0.0 112.672 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -138.16 162.97 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 179.751 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -148.04 143.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 111.528 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.1 t -100.91 123.98 45.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.8 129.21 25.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.835 ' HB3' HD22 ' A' ' 15' ' ' LEU . 74.3 Cg_endo . . . . . 0 C--N 1.347 0.469 0 C-N-CA 122.473 2.115 . . . . 0.0 112.317 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.852 0.358 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.76 121.8 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 52.7 t -117.82 154.06 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 t -105.7 115.87 30.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.737 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -60.66 160.64 18.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.739 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -50.6 -25.5 14.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HB3' HD12 ' A' ' 15' ' ' LEU . 5.2 t-20 -86.59 -13.95 44.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 66.74 85.38 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.829 0.347 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.2 m-20 -149.79 22.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.77 133.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -158.28 8.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.684 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 m -128.31 146.64 50.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.524 0.202 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -118.48 124.27 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.473 . . . . 0.0 111.395 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -145.27 168.46 20.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.3 m -60.05 174.57 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 61' ' ' PRO . 1.0 OUTLIER -93.98 29.5 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.085 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.2 mt -135.27 26.1 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -131.78 -52.15 0.99 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 115.6 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.95 -31.62 63.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.1 m -69.72 -38.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.872 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.99 -36.93 85.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.2 t -66.93 -37.34 84.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.478 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.6 pttp -68.73 -32.44 72.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 111.021 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.5 mt -69.05 -38.84 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 32' ' ' ALA . 18.7 mm -66.94 -33.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -75.75 -27.5 58.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.982 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.37 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.91 88.11 3.26 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.97 103.52 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.517 2.144 . . . . 0.0 112.461 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 63.29 129.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.333 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.81 154.22 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 46' ' ' GLU . . . -55.01 -38.01 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 7.0 mt-30 -75.32 -36.88 61.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.156 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -70.18 -37.35 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.293 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -71.06 -40.57 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.694 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.95 -37.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.677 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -70.12 -41.15 74.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.396 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.1 pp -70.26 -32.97 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.721 0.296 . . . . 0.0 110.49 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.864 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.8 ttt180 -64.06 -37.7 88.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.407 . . . . 0.0 110.5 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.3 -31.33 63.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.924 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -114.2 45.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -127.71 141.82 51.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 111.322 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.4 m -93.2 25.38 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -116.08 143.23 18.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.581 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -108.33 -28.68 9.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.724 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.63 166.13 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.07 14.89 63.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.98 -18.5 11.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.645 0.26 . . . . 0.0 111.204 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.1 m -102.84 96.4 7.69 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.979 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.499 ' HB2' HD21 ' A' ' 26' ' ' LEU . 75.4 Cg_endo -76.89 112.84 3.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.526 2.151 . . . . 0.0 112.748 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -138.15 163.54 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.611 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -151.15 147.34 15.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.405 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 68.5 m -100.81 123.88 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.909 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.47 114.88 34.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HB3' HD22 ' A' ' 15' ' ' LEU . 43.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.482 2.121 . . . . 0.0 112.285 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -109.6 118.98 38.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.51 166.36 13.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 14' ' ' THR . 11.3 t -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -58.97 161.74 8.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.707 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.3 Cg_endo -51.34 -25.11 17.39 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.617 2.211 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -86.56 -11.36 51.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 64.31 83.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.502 ' HB2' HD11 ' A' ' 15' ' ' LEU . 64.1 m-20 -154.08 24.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm 62.58 139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.017 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.95 -154.37 8.17 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.603 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 2.2 m -130.18 146.58 51.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.643 0.259 . . . . 0.0 110.777 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.51 123.06 44.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.072 0.463 . . . . 0.0 111.243 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -144.15 169.09 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.631 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.3 m -59.68 178.16 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.837 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -96.66 29.73 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.014 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -139.11 34.86 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -142.18 -46.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.492 ' SG ' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.02 114.86 7.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -30.95 71.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 110.536 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.492 HG12 ' SG ' ' A' ' 29' ' ' CYS . 11.0 p -63.14 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.912 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.933 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.37 -37.01 85.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -66.12 -42.23 89.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -64.0 -31.7 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.959 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 32' ' ' ALA . 13.3 mt -68.51 -41.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.978 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 32' ' ' ALA . 21.6 mm -62.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -73.61 -29.69 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -44.11 91.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -140.79 72.46 29.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.76 118.21 4.85 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 42' ' ' THR . 4.5 mtp85 59.68 107.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -161.33 138.01 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.6 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.22 60.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.437 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 2.1 tt0 -72.62 -30.33 64.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.26 -35.81 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.65 -43.9 79.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -68.35 -37.15 80.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.71 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -66.89 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.2 tp -66.42 -40.65 89.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.12 -40.22 86.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -72.94 -31.01 64.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -97.47 38.24 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.71 121.43 25.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.7 p -79.77 62.32 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.41 -175.49 21.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -143.91 100.69 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.386 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.28 169.79 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.9 -24.43 4.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.736 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -115.42 -37.62 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 111.018 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.7 m -109.84 91.31 10.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 150.48 67.94 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.525 2.15 . . . . 0.0 112.144 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -138.03 160.37 39.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.059 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.8 t -145.07 159.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.949 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.5 m -101.65 123.83 46.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 111.083 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.09 114.91 23.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.534 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.555 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.2 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.389 2.059 . . . . 0.0 112.255 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 22' ' ' THR . 1.2 mt-30 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.817 0.341 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.49 117.93 33.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.9 p -121.5 167.01 13.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.46 115.88 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -58.47 160.64 9.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.787 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.67 -25.54 15.22 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.623 2.216 . . . . 0.0 112.062 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' CB ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -84.72 -17.13 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.053 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 69.09 86.02 0.13 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -154.94 25.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 62.88 137.94 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 110.984 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.23 -160.97 14.24 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.619 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' GLN . 16.7 m -122.91 146.7 47.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.54 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.23 122.05 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 111.214 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 169.24 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.462 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 p -56.16 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.8 pp -96.43 30.41 2.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD12 ' HG2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -146.76 29.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' HG2' HD12 ' A' ' 27' ' ' LEU . 3.8 mm-40 -130.29 -45.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.1 117.07 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -40.77 83.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.702 HG23 ' HE2' ' A' ' 34' ' ' LYS . 12.7 p -66.05 -38.98 83.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.02 -36.98 86.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.474 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.702 ' HE2' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.006 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 32' ' ' ALA . 14.4 mt -70.99 -36.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.79 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 32' ' ' ALA . 21.0 mm -73.87 -33.07 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 t -98.52 -4.63 33.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -76.59 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 16.2 mmtm -159.41 -66.04 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 62.7 Cg_endo -73.31 156.82 50.52 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.375 2.05 . . . . 0.0 112.331 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 179.64 77.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.789 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 p -121.24 -169.15 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -32.6 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.361 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -59.63 -31.55 69.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.925 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -36.06 73.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -69.0 -38.24 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.349 -179.491 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 4.3 ptmm? -68.11 -37.56 81.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.294 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -62.85 -46.46 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.4 pp -71.22 -33.2 69.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.081 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' N ' HD12 ' A' ' 49' ' ' LEU . 11.1 mmm180 -67.42 -35.55 79.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -34.14 66.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 m -97.25 37.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.99 123.67 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.79 74.23 1.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.44 -178.09 20.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -138.21 66.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.38 156.13 19.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.11 -45.97 1.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -80.78 -28.69 36.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.49 86.23 1.67 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.612 ' HB2' HD23 ' A' ' 26' ' ' LEU . 51.6 Cg_endo -69.23 133.34 26.28 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.569 2.179 . . . . 0.0 112.242 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -137.94 158.08 45.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -144.3 156.56 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.443 ' N ' HG12 ' A' ' 63' ' ' VAL . 8.2 t -105.24 123.82 48.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.09 122.78 29.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.682 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.531 ' HB3' HD22 ' A' ' 15' ' ' LEU . 44.9 Cg_endo . . . . . 0 C--N 1.346 0.44 0 C-N-CA 122.356 2.037 . . . . 0.0 112.156 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.87 0.366 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.56 125.18 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.083 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -120.98 154.12 36.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 14' ' ' THR . 9.7 t -104.5 115.76 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -58.01 161.09 7.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.686 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.12 -25.4 16.84 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 112.143 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.686 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -84.73 -17.26 38.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.04 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 69.72 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.869 0.366 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -153.31 24.48 0.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 63.34 135.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.91 -162.18 17.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.728 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -123.33 146.87 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.663 0.268 . . . . 0.0 110.785 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.29 121.66 40.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 111.001 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -145.29 168.99 19.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.564 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -176.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.799 HD12 HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -95.85 33.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.78 28.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -126.99 -47.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 31' ' ' VAL . 1.8 t -67.92 138.92 56.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.07 -41.52 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.432 HG22 ' SG ' ' A' ' 29' ' ' CYS . 27.8 m -66.27 -39.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.751 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.91 84.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.793 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -63.91 -44.7 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -62.64 -32.11 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 -179.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.588 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 29.6 mm -71.17 -34.95 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.054 0.454 . . . . 0.0 111.0 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.799 HD11 HD12 ' A' ' 26' ' ' LEU . 20.8 mm -75.1 -33.05 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.185 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -105.61 0.28 26.32 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -50.33 -89.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.194 -0.316 . . . . 0.0 111.263 -179.367 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.504 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 177.53 -67.77 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.47 0.176 . . . . 0.0 110.57 179.547 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 36.9 Cg_endo -64.84 117.36 4.46 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.449 2.099 . . . . 0.0 112.078 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -119.8 99.92 6.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 43' ' ' ALA . 9.6 m -125.05 164.16 20.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 42' ' ' THR . . . -56.3 -32.37 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.226 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 56.4 mt-30 -59.39 -29.72 67.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.939 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -70.4 -36.74 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 1.9 tt0 -69.36 -39.17 78.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 18.6 ptpt -68.1 -37.64 81.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.071 0.462 . . . . 0.0 110.064 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.0 t80 -63.1 -45.41 92.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.416 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 50' ' ' ARG . 3.9 pp -69.38 -37.54 77.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.884 0.374 . . . . 0.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.694 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -67.38 -37.68 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.568 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -97.16 28.15 3.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.51 139.88 39.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 11.7 p -89.38 50.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.88 -150.62 1.93 Allowed Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.892 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.28 148.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.72 115.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.72 -25.84 26.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.605 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.35 -39.28 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.46 110.82 18.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.85 137.65 38.74 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.343 2.029 . . . . 0.0 112.36 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.76 161.24 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.5 t -146.39 155.48 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.246 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.428 ' N ' HG12 ' A' ' 63' ' ' VAL . 5.2 t -100.93 132.08 46.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -131.59 114.88 15.73 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.675 ' HB3' HD22 ' A' ' 15' ' ' LEU . 38.3 Cg_endo . . . . . 0 C--N 1.346 0.439 0 C-N-CA 122.301 2.001 . . . . 0.0 112.358 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.731 0.3 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.62 121.55 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -118.9 160.37 22.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 14' ' ' THR . 11.5 t -106.92 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.9 162.07 10.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.16 -25.18 16.54 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.539 2.159 . . . . 0.0 112.056 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' CB ' HD12 ' A' ' 15' ' ' LEU . 5.9 t30 -83.74 -15.71 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 65.28 85.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -152.44 23.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 62.58 133.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.21 -172.22 29.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.674 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -124.9 130.76 53.01 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 31.0 p -118.58 128.35 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.158 0.504 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 169.35 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.028 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -51.84 174.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.676 0.274 . . . . 0.0 110.565 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.83 41.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mt -147.22 30.19 0.95 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -133.01 -56.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.311 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.458 ' SG ' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -56.7 133.33 53.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.16 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -66.05 -44.76 83.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.711 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.824 HG23 ' HE3' ' A' ' 34' ' ' LYS . 12.6 p -59.2 -38.88 76.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.891 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.785 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -64.47 -36.99 85.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.824 ' HE3' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -60.09 -35.3 74.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.562 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 32' ' ' ALA . 19.5 mt -68.06 -35.45 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.616 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 40' ' ' PRO . 36.5 mm -71.23 -25.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.748 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.4 p -88.11 -35.78 17.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.735 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -68.6 -63.38 1.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.317 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.12 80.21 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HB3' HD13 ' A' ' 36' ' ' ILE . 91.7 Cg_endo -81.4 -168.64 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 54.06 93.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.232 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -163.04 154.22 17.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.52 -34.37 69.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.07 -34.77 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.6 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.98 -35.83 74.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.6 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.712 ' HA ' HD23 ' A' ' 49' ' ' LEU . 37.9 mt-10 -66.28 -42.04 88.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 7.2 ptpp? -68.15 -37.76 81.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.12 -38.68 82.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.245 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.712 HD23 ' HA ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -70.38 -34.68 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.948 0.404 . . . . 0.0 110.636 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -67.07 -37.25 83.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.752 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.06 -31.1 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -119.57 46.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -102.34 138.74 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -104.06 29.91 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.68 141.72 33.88 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.61 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.77 28.23 2.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 0.0 110.653 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.34 -46.52 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.768 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.54 33.56 1.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.585 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -179.4 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 60' ' ' THR . 8.1 t -56.59 117.85 19.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.96 114.78 4.07 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.45 2.1 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -138.08 156.52 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -141.8 150.17 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.94 127.51 47.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -117.63 116.67 36.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HB3' HD22 ' A' ' 15' ' ' LEU . 61.3 Cg_endo . . . . . 0 C--N 1.346 0.43 0 C-N-CA 122.393 2.062 . . . . 0.0 112.302 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.821 0.343 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.97 118.42 36.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -119.61 167.04 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.999 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -106.29 116.01 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -58.92 161.1 9.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.71 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.3 Cg_endo -50.85 -25.4 15.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.691 2.261 . . . . 0.0 112.187 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.829 ' HB2' HD12 ' A' ' 15' ' ' LEU . 5.0 m-20 -85.73 -15.25 42.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.88 85.44 0.14 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.459 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.5 m-20 -155.2 25.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? 63.2 138.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.942 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.53 -168.19 29.31 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.599 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -119.96 146.67 45.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.582 0.229 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.5 121.84 41.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 111.278 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -143.38 162.64 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.55 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.0 m -55.01 -178.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.5 pp -95.89 28.19 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -139.99 29.15 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -133.05 -53.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 125.91 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.746 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.44 -41.24 93.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.041 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 32' ' ' ALA . 28.2 m -65.21 -40.63 89.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.763 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.07 -36.98 86.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -36.25 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.402 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.515 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.5 pttt -68.65 -36.17 78.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.895 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.3 mt -66.33 -35.56 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.884 0.373 . . . . 0.0 111.023 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mm -67.51 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.526 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 p -77.34 -37.46 52.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.735 ' CG ' ' HA ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -75.88 -22.56 56.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.378 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.19 78.72 2.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -85.83 28.12 0.57 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.855 2.37 . . . . 0.0 112.997 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 177.79 85.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.01 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -162.95 142.64 8.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.824 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.58 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -61.36 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -35.82 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 34.5 mt-10 -69.19 -42.48 75.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -68.11 -37.7 81.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -69.9 -41.33 74.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.845 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.2 pp -72.05 -33.68 68.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.336 . . . . 0.0 110.254 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.845 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 ttm180 -67.2 -38.96 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.25 -31.67 64.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.577 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 2.1 t -109.49 46.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.397 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -129.03 113.26 14.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.93 45.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 165.41 -170.91 40.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.415 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -155.07 130.72 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -162.83 149.1 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.63 28.01 15.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.609 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.89 -45.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -110.21 71.85 0.64 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 48.9 Cg_endo -68.35 168.68 18.82 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.558 2.172 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -137.94 160.17 40.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 52' ' ' SER . 21.5 t -142.29 147.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.7 m -100.74 123.81 45.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.078 0.466 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.88 115.19 32.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.615 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HB3' HD22 ' A' ' 15' ' ' LEU . 37.1 Cg_endo . . . . . 0 C--N 1.347 0.475 0 C-N-CA 122.31 2.007 . . . . 0.0 112.422 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.1 117.93 35.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 9.5 t -114.83 148.55 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.761 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 t -96.82 115.78 28.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.716 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -60.33 162.25 11.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 -28.15 17.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.557 2.171 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.825 ' HB2' HD12 ' A' ' 15' ' ' LEU . 4.4 m120 -82.17 -17.25 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 69.52 86.04 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.794 0.33 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.59 25.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? 63.3 137.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.55 -154.77 7.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.824 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -130.15 146.95 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.594 0.235 . . . . 0.0 110.691 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 2.5 t -118.21 121.43 40.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -145.7 169.0 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.353 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.1 m -61.91 -179.26 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.411 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.6 pp -95.23 27.31 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.973 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.2 28.39 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -127.69 -49.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.72 115.85 3.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -32.71 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.036 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.746 HG13 ' HE2' ' A' ' 34' ' ' LYS . 22.7 t -69.33 -43.7 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.19 -36.91 85.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.039 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -35.93 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.372 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.746 ' HE2' HG13 ' A' ' 31' ' ' VAL . 2.3 pttm -70.0 -33.72 72.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.989 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.2 mt -71.22 -41.25 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.519 HD12 ' NH2' ' A' ' 41' ' ' ARG . 13.0 mm -73.72 -34.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.957 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -82.3 -19.36 39.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -84.75 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.992 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 172.25 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.152 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 27.3 Cg_endo -62.28 152.02 78.92 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.406 2.071 . . . . 0.0 112.559 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.519 ' NH2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.578 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -110.81 177.57 4.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.226 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.498 ' H ' HG22 ' A' ' 42' ' ' THR . . . -64.11 -32.36 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.264 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 63.6 mt-30 -59.35 -32.48 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.021 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.26 -36.0 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.204 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 8.0 tt0 -70.11 -38.75 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -68.08 -37.66 81.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.992 0.425 . . . . 0.0 110.321 179.532 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -64.5 -44.95 89.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -72.03 -35.68 69.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 0.0 110.06 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.829 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.42 -36.83 82.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -73.02 -39.71 65.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.2 m -99.17 39.03 1.32 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -104.13 104.61 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -63.41 79.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.94 143.79 3.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.32 -14.84 12.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.638 0.256 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.88 -46.77 74.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.88 -53.47 0.75 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.594 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -31.64 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.534 HG22 ' HG3' ' A' ' 62' ' ' LYS . 43.7 m -70.71 111.39 9.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.553 ' HB2' HD23 ' A' ' 26' ' ' LEU . 63.6 Cg_endo -73.48 102.05 1.44 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.492 2.128 . . . . 0.0 112.413 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.534 ' HG3' HG22 ' A' ' 60' ' ' THR . 18.5 mtmt -138.06 154.77 49.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -146.93 156.87 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.021 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.451 ' N ' HG12 ' A' ' 63' ' ' VAL . 61.9 m -106.84 123.81 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.85 114.95 33.71 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.744 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.432 ' HB3' HD22 ' A' ' 15' ' ' LEU . 51.6 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 122.342 2.028 . . . . 0.0 112.301 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.74 120.24 31.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -115.59 167.0 11.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 14' ' ' THR . 7.3 t -103.49 115.97 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.023 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.64 162.44 8.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.66 -27.95 21.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.521 2.147 . . . . 0.0 112.238 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -82.77 -16.92 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 70.09 83.26 0.15 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.78 25.78 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.12 143.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.01 -156.08 10.76 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.642 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -129.24 146.46 51.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.696 0.284 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.67 121.78 40.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 111.081 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.33 169.05 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.644 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.6 m -60.96 -179.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.8 pp -97.6 29.4 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.23 31.64 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -141.65 -45.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 95.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -30.64 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.466 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.9 m -66.21 -38.81 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.122 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.889 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -63.95 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -38.64 89.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.8 pttt -66.93 -32.74 74.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.9 mt -67.74 -41.38 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -65.22 -31.71 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t -99.64 0.01 41.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.72 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.94 -43.85 6.24 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.804 0.335 . . . . 0.0 111.216 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.67 84.9 9.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.53 -179.55 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.631 2.221 . . . . 0.0 112.222 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.551 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 0.7 OUTLIER 172.45 143.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.801 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 43' ' ' ALA . 74.8 m -86.91 -105.35 0.07 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.977 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 42' ' ' THR . . . -59.82 -32.79 70.98 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.462 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 41' ' ' ARG . 31.3 mt-30 -64.17 -38.28 90.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' ARG . 32.6 t70 -69.4 -35.99 76.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.054 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 1.3 mm-40 -64.28 -43.64 94.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -68.16 -37.68 81.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.127 0.489 . . . . 0.0 110.392 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.48 -41.57 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.264 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.2 pp -71.91 -33.36 68.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.477 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.841 ' N ' HD12 ' A' ' 49' ' ' LEU . 28.2 ttt180 -67.31 -34.99 78.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.97 -34.23 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.12 39.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -137.13 129.28 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.2 m -64.99 81.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.35 167.05 9.55 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -126.27 88.6 2.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -52.72 6.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.92 -73.35 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.569 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.88 -21.87 58.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.647 0.26 . . . . 0.0 111.108 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.78 85.75 2.01 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.309 . . . . 0.0 111.03 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 59.4 Cg_endo -72.28 127.85 13.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.488 2.125 . . . . 0.0 112.197 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.99 159.36 42.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.6 t -146.86 156.73 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.437 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.6 m -104.93 124.01 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -121.09 114.88 31.93 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.758 ' HB3' HD22 ' A' ' 15' ' ' LEU . 74.7 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.428 2.086 . . . . 0.0 112.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.91 121.62 29.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.04 167.12 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 14' ' ' THR . 10.6 t -105.04 115.65 30.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -63.7 161.76 33.76 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.696 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.81 -25.36 15.31 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.589 2.193 . . . . 0.0 112.231 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.557 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -84.61 -14.18 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 63.85 83.63 0.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -155.99 26.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.08 138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.014 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.48 -159.43 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.574 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 m -124.83 146.39 49.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.75 121.81 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.411 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 169.02 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.568 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.0 t -56.06 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -94.68 37.89 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.032 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -150.81 29.62 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -125.61 -48.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 125.62 27.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.89 -30.93 68.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.117 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.728 HG13 ' HE3' ' A' ' 34' ' ' LYS . 32.0 t -67.21 -42.56 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.92 85.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -68.31 -35.73 78.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.402 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.728 ' HE3' HG13 ' A' ' 31' ' ' VAL . 7.2 pttt -70.07 -32.75 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.096 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.454 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 33.9 mt -71.05 -36.93 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 111.003 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -75.08 -27.1 19.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.04 -0.18 31.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.514 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -80.73 0.15 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 176.44 -54.32 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.084 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 74.4 Cg_exo -49.93 107.1 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.51 2.14 . . . . 0.0 112.493 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -152.58 68.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 p -109.59 -176.33 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -32.99 61.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -64.39 -31.48 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -35.97 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.733 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.605 ' HA ' HD23 ' A' ' 49' ' ' LEU . 4.1 tt0 -65.93 -42.43 90.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 17.8 ptpt -68.01 -37.78 81.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.313 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -41.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.076 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -70.15 -38.37 75.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.925 0.393 . . . . 0.0 110.492 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -67.32 -37.03 82.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.651 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.1 -28.01 62.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -96.76 38.12 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -123.64 129.43 51.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.3 p -86.09 78.11 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' PHE . . . 103.46 179.9 25.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 36.8 m-85 -161.92 88.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.779 0.323 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.678 ' HB3' HG22 ' A' ' 60' ' ' THR . 1.9 t0 -62.48 -29.7 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.658 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.19 -41.51 1.77 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.581 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -19.0 8.65 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.678 HG22 ' HB3' ' A' ' 57' ' ' ASP . 14.6 t -94.62 107.65 31.74 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.737 0.303 . . . . 0.0 111.398 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.69 128.0 5.84 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.591 2.194 . . . . 0.0 112.15 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -138.04 155.57 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.253 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.7 t -135.89 159.66 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.488 ' N ' HG12 ' A' ' 63' ' ' VAL . 12.9 t -106.21 123.79 48.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.95 132.82 22.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HB3' HD22 ' A' ' 15' ' ' LEU . 58.6 Cg_endo . . . . . 0 C--N 1.345 0.35 0 C-N-CA 122.446 2.097 . . . . 0.0 112.427 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.777 0.322 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.92 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 p -116.74 167.06 11.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -100.75 115.98 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.459 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -61.6 163.6 11.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.765 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -51.19 -26.77 20.65 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.454 2.102 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.65 -13.1 54.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.71 82.64 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -156.5 27.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.007 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.88 142.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.75 -152.26 7.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.701 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.13 146.73 51.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.751 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -118.67 121.9 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.118 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -138.95 167.09 22.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.799 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -58.22 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.3 pp -96.24 31.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 mt -146.78 41.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -151.43 -42.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.47 116.84 2.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -36.64 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.434 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 27.4 m -67.93 -39.58 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.873 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.02 -36.88 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -66.79 -37.32 84.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.458 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -68.89 -32.46 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 0.0 111.024 -179.737 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 32' ' ' ALA . 10.3 mt -69.22 -38.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -69.87 -32.23 51.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.014 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -96.15 0.17 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.362 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -83.34 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.705 0.288 . . . . 0.0 110.829 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' CB ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 174.78 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.093 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' A' ' 39' ' ' LYS . 35.4 Cg_endo -65.1 146.25 86.64 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.467 2.112 . . . . 0.0 112.53 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.9 98.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.64 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -174.03 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.081 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.95 -32.75 61.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.182 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -59.76 -32.33 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.0 -35.92 74.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.685 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -41.28 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -39.41 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -35.88 81.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.725 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.0 tp -70.24 -34.7 73.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -37.47 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.703 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -98.25 34.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.2 138.24 52.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -57.23 95.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.77 179.78 4.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.22 101.68 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.55 166.62 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -130.43 44.37 1.22 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.824 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -106.04 87.29 2.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HB2' HD23 ' A' ' 26' ' ' LEU . 52.9 Cg_endo -69.48 129.42 17.86 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.468 2.112 . . . . 0.0 112.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -136.75 156.71 48.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.0 150.39 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.94 123.85 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.008 0.432 . . . . 0.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -126.6 122.06 23.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.679 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 122.346 2.03 . . . . 0.0 112.36 -179.728 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.63 124.82 28.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -118.79 152.91 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.65 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 14' ' ' THR . 10.0 t -99.47 115.89 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -57.99 160.71 8.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.788 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.69 -25.66 15.54 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.654 2.236 . . . . 0.0 112.11 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -85.41 -16.39 39.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.61 86.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.14 24.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? 62.75 139.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.37 -156.52 10.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.704 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 m -126.18 146.67 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.644 0.259 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -118.32 121.77 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -179.72 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -145.03 169.31 18.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.507 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 176.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.662 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.42 31.98 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 mt -142.97 31.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -139.32 -47.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' SG ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.62 125.83 25.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -35.82 77.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.1 m -64.48 -42.19 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.434 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -65.42 -37.35 86.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.0 p -69.39 -36.91 77.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.416 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 31' ' ' VAL . 16.4 pttm -70.09 -32.6 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.024 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' CE ' ' A' ' 38' ' ' LYS . 28.0 mm -69.45 -35.93 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.78 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 32' ' ' ALA . 16.4 mm -71.57 -30.68 39.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.6 p -96.07 -12.96 24.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.358 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' CE ' HD13 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -54.0 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.08 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -176.27 -53.79 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.084 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 32.2 Cg_exo -58.54 131.11 40.64 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.433 2.089 . . . . 0.0 112.202 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -162.53 65.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p -126.63 -176.83 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.97 62.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 11.8 mt-30 -63.67 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -70.23 -36.09 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' HA ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -69.22 -40.37 77.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 2.1 ptpt -68.0 -37.62 81.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.39 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -65.8 -44.62 85.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.0 pp -72.06 -35.98 69.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.116 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.648 ' N ' HD12 ' A' ' 49' ' ' LEU . 19.6 mtt180 -67.31 -35.29 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.572 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.52 -29.71 66.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.976 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -96.89 36.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.07 126.99 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -68.43 72.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.75 177.21 19.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -166.89 133.36 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 19.13 3.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 53.15 26.92 29.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.748 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -159.79 -45.19 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 111.055 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 60' ' ' THR . 9.2 t -84.62 111.76 37.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.51 117.29 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.712 2.275 . . . . 0.0 112.477 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -138.0 161.18 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 64' ' ' CYS . 20.9 t -144.62 159.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.491 ' N ' HG12 ' A' ' 63' ' ' VAL . 4.5 t -103.51 124.39 48.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 114.82 31.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.784 ' HB3' HD22 ' A' ' 15' ' ' LEU . 73.9 Cg_endo . . . . . 0 C--N 1.345 0.386 0 C-N-CA 122.441 2.094 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.761 0.315 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.65 117.75 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -123.24 159.62 28.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 t -94.41 115.84 28.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -61.04 161.73 15.21 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.787 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 9.0 Cg_endo -50.41 -25.85 14.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.601 2.2 . . . . 0.0 112.07 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' HB2' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -82.12 -19.01 40.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.042 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 69.33 80.84 0.18 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -152.88 23.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt 62.44 132.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.77 -160.33 10.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.719 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -129.22 133.58 47.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 23.7 p -118.62 130.4 55.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.125 0.488 . . . . 0.0 111.516 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -145.05 169.5 18.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.143 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 t -49.95 176.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.335 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.91 30.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -144.82 31.7 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -134.4 -54.51 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.4 136.68 57.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.23 -31.52 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.731 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.676 HG13 ' HE3' ' A' ' 34' ' ' LYS . 31.9 t -70.23 -40.46 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.38 -37.03 85.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -68.09 -36.44 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HE3' HG13 ' A' ' 31' ' ' VAL . 3.0 pttt -69.95 -33.3 71.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.11 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 32' ' ' ALA . 17.2 mt -70.72 -36.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 mm -74.11 -29.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.0 t -88.45 -30.96 19.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -66.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -177.18 80.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.77 83.28 2.25 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.444 2.096 . . . . 0.0 112.413 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -173.22 70.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.03 135.06 19.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.432 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . . . -54.84 -32.02 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.06 -34.35 64.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -35.96 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HA ' HD21 ' A' ' 49' ' ' LEU . 9.4 pt-20 -71.07 -40.94 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.3 ptpm? -68.21 -37.6 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.447 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.77 -43.22 80.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.5 pp -72.21 -39.47 68.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.931 0.396 . . . . 0.0 110.005 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.815 ' N ' HD12 ' A' ' 49' ' ' LEU . 3.2 mtt85 -67.47 -38.2 84.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.694 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -73.21 -33.18 65.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' CYS . 1.4 m -97.71 37.92 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.131 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.94 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.3 p -79.71 60.66 3.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.39 143.85 5.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -112.05 106.43 15.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.17 136.96 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.44 45.51 2.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -158.11 -45.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -127.07 101.74 25.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.54 149.87 79.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.097 . . . . 0.0 112.116 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -135.82 155.26 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.46 154.28 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 3.7 t -104.27 123.97 48.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.18 114.57 40.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.576 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.112 . . . . 0.0 112.235 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.771 0.32 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 123.15 26.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.74 167.17 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -108.44 115.88 30.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -61.14 163.23 10.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.69 -26.92 18.38 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -83.83 -16.7 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.55 85.87 0.14 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -154.02 24.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.75 133.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.22 -155.99 8.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.94 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 m -130.85 147.5 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -117.49 122.6 44.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.12 0.486 . . . . 0.0 111.018 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -129.28 164.76 22.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -173.41 0.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.088 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.828 HD23 ' HB2' ' A' ' 61' ' ' PRO . 2.4 pp -82.52 4.6 23.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.352 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.08 23.39 3.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.41 -39.62 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.512 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.03 118.28 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -39.31 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.4 m -63.1 -38.72 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.996 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.408 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -62.92 -37.06 85.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.832 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -66.84 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.25 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -65.14 -31.9 73.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 -179.777 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.0 mm -70.21 -41.6 78.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 110.964 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 32' ' ' ALA . 27.5 mm -62.3 -33.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.917 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 p -83.9 -26.39 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -73.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.93 93.59 1.87 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.78 -157.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.697 2.264 . . . . 0.0 112.511 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER 176.12 159.04 0.28 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -75.32 -124.15 0.01 OUTLIER 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.71 -32.66 59.87 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-O 120.746 0.308 . . . . 0.0 111.562 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.926 0.393 . . . . 0.0 110.997 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 41' ' ' ARG . 17.5 t70 -70.14 -35.94 74.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -66.71 -40.74 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 8.4 ptmt -66.54 -37.41 84.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 0.0 110.302 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -39.91 83.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.021 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 45' ' ' ASP . 0.8 OUTLIER -65.97 -44.05 86.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.411 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -39.31 93.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -72.05 -31.15 65.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -106.81 42.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.34 152.82 35.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 30.0 p -92.29 23.79 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.498 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.14 -137.86 32.32 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.815 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 70.13 -64.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.02 143.97 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.92 -38.8 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -84.33 -60.42 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 m -60.5 113.27 7.11 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.828 ' HB2' HD23 ' A' ' 26' ' ' LEU . 49.4 Cg_exo -55.38 131.95 49.32 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.44 2.093 . . . . 0.0 112.32 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -137.51 146.23 43.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.697 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -135.33 152.6 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.942 0.401 . . . . 0.0 111.307 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.1 123.92 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.318 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.3 m -116.32 114.47 40.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.483 2.122 . . . . 0.0 112.474 -179.763 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.27 121.09 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 p -119.09 166.92 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -103.78 115.8 31.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -59.24 161.97 8.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.755 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 10.0 Cg_endo -51.44 -24.98 17.62 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.622 2.215 . . . . 0.0 112.21 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -10.65 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 63.58 83.84 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.923 0.392 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.485 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -154.45 25.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.006 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 141.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.52 -165.85 30.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.67 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -119.25 146.58 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 110.706 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.53 121.92 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 111.233 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 169.02 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -60.18 177.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.787 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -95.57 35.87 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -132.42 35.49 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -158.23 -42.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.41 136.03 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.002 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.86 -43.04 94.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.513 HG13 ' CE ' ' A' ' 34' ' ' LYS . 10.1 t -68.34 -38.8 79.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.828 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.19 -36.82 85.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.761 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -41.22 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.353 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' CE ' HG13 ' A' ' 31' ' ' VAL . 5.7 pttt -64.7 -32.36 73.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 32' ' ' ALA . 11.3 mt -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.805 HD13 ' HB3' ' A' ' 40' ' ' PRO . 26.3 mm -66.09 -34.91 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -78.8 -21.56 47.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -89.13 -58.87 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.917 0.389 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 84.95 0.1 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.805 ' HB3' HD13 ' A' ' 36' ' ' ILE . 93.5 Cg_endo -82.05 66.59 8.33 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.413 2.075 . . . . 0.0 112.421 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.17 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -162.85 150.66 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.3 -33.01 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -71.56 -31.44 66.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -36.03 74.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.452 ' HA ' HD21 ' A' ' 49' ' ' LEU . 2.2 tm-20 -67.04 -41.44 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 1.4 ptmt -68.12 -37.23 80.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.01 0.433 . . . . 0.0 110.695 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -70.05 -41.98 73.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.86 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.5 pp -72.28 -40.1 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.575 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.86 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.99 -34.11 75.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.883 0.373 . . . . 0.0 110.581 179.447 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -103.37 40.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -120.26 142.79 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.982 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 p -94.68 30.14 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.65 -140.76 45.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.699 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 63.11 168.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -77.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.83 -49.69 2.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -34.81 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.625 HG22 ' HD2' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -101.28 141.83 23.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.625 ' HD2' HG22 ' A' ' 60' ' ' THR . 65.8 Cg_endo -73.65 140.2 29.16 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.158 . . . . 0.0 112.39 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -138.0 154.94 49.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 64' ' ' CYS . 22.1 t -144.0 158.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.485 ' N ' HG12 ' A' ' 63' ' ' VAL . 2.5 m -100.85 131.25 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.68 115.75 19.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.62 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.465 2.11 . . . . 0.0 112.297 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.864 0.364 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.7 118.8 28.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.1 167.16 10.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 t -112.12 115.66 29.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -69.34 160.76 77.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -48.24 -26.97 8.9 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.488 2.126 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' CB ' HD12 ' A' ' 15' ' ' LEU . 9.0 t-20 -81.53 -17.84 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 64.08 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.06 23.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.079 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 62.58 132.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.47 -174.95 33.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.587 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -118.48 146.31 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.7 p -118.79 126.26 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.065 0.46 . . . . 0.0 111.348 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 169.23 18.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.627 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -55.34 -175.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.6 pp -97.41 31.61 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.7 mt -146.41 28.7 1.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.46 -51.29 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 119.59 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.72 -38.23 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 32' ' ' ALA . 28.3 m -63.72 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -60.24 -36.82 78.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -66.08 -38.69 88.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.479 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -68.42 -31.99 71.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.472 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 36.9 mm -69.6 -37.04 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 32' ' ' ALA . 15.4 mm -71.82 -30.88 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.6 -19.79 23.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -65.94 0.48 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 179.29 -55.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.987 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' A' ' 39' ' ' LYS . 71.7 Cg_exo -48.93 131.82 25.93 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.502 2.135 . . . . 0.0 112.426 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -170.4 88.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -153.64 -170.75 3.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' H ' HG22 ' A' ' 42' ' ' THR . . . -58.98 -32.96 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HA ' ' HG2' ' A' ' 47' ' ' LYS . 1.9 tt0 -59.68 -31.78 69.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.38 -35.78 73.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 17.4 mt-10 -68.71 -38.73 80.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.345 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.442 ' HG2' ' HA ' ' A' ' 44' ' ' GLN . 1.7 ptpt -68.16 -37.6 81.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.924 0.392 . . . . 0.0 110.321 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -44.72 88.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 50' ' ' ARG . 4.4 pp -71.48 -32.95 68.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.077 0.465 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.734 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.9 ttp180 -67.34 -34.69 77.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.629 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -33.63 69.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -112.74 46.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.682 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -108.54 146.87 32.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.314 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 70.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.064 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.34 -166.82 12.88 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.696 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -111.1 -20.38 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 111.252 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.55 127.0 16.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.86 0.362 . . . . 0.0 111.184 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.89 -34.94 7.41 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -31.21 67.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.89 98.53 7.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HB2' HD23 ' A' ' 26' ' ' LEU . 36.6 Cg_endo -65.64 107.49 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.387 2.058 . . . . 0.0 112.285 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -135.84 147.47 48.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.977 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 64' ' ' CYS . 21.4 t -137.67 156.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.439 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.6 m -101.0 123.97 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.62 114.8 39.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HB3' HD22 ' A' ' 15' ' ' LEU . 42.1 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.456 2.104 . . . . 0.0 112.315 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.98 123.96 29.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.1 p -116.48 167.02 11.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 14' ' ' THR . 7.2 t -101.45 116.02 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.51 163.24 15.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 15' ' ' LEU . 77.8 Cg_exo -50.56 -26.62 17.14 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.505 2.137 . . . . 0.0 112.299 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.24 -17.92 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.52 83.75 0.16 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.0 29.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.783 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.95 142.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.61 -149.75 6.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -118.41 121.68 40.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -145.28 165.56 28.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.661 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 p -61.79 -178.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.774 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.705 HD22 ' HB2' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -94.99 33.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 26' ' ' LEU . 11.1 mt -141.96 28.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -130.64 -53.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.762 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.26 112.77 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.714 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -36.96 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 11.7 p -68.69 -40.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 35' ' ' ILE . . . -65.34 -37.02 85.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -37.2 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.482 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -69.77 -33.03 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.693 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 32' ' ' ALA . 12.4 mt -70.63 -35.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 32' ' ' ALA . 14.4 mm -74.45 -32.79 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.02 0.12 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.325 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -79.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 111.036 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -179.33 -61.59 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 13.7 Cg_endo -56.87 140.48 91.85 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.551 2.167 . . . . 0.0 112.403 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.45 90.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.43 -174.65 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.66 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.351 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 6.0 mt-30 -59.76 -29.68 68.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.84 -35.97 72.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.33 -44.02 76.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.46 -37.59 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.553 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -67.27 -35.87 80.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.5 tp -72.2 -33.02 67.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.258 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -66.93 -35.35 79.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.91 -34.95 69.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.47 38.09 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . -115.67 105.22 12.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -54.91 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.146 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.79 -177.82 38.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.636 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -137.22 111.06 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.62 -72.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.66 -48.2 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.86 -38.64 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -95.69 102.46 10.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.705 ' HB2' HD22 ' A' ' 26' ' ' LEU . 43.0 Cg_endo -67.94 135.88 36.5 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.389 2.059 . . . . 0.0 112.285 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 157.24 46.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.75 152.57 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.05 124.28 48.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.41 116.94 23.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--N 1.347 0.468 0 C-N-CA 122.394 2.062 . . . . 0.0 112.146 -179.945 . . . . . . . . 0 0 . 1 stop_ save_